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염산 아닐린

Benzenamine hydrochloride (1:1)

HCID 8870
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
142-04-1
표준 SMILES
Cl.Nc1ccccc1
InChIKey
MMCPOSDMTGQNKG-UHFFFAOYSA-N
분자식
C6H8ClN
평균 분자량
129.59 g/mol
단동위원소 질량
129.034527

이름 및 식별자

우선 이름
Benzenamine hydrochloride (1:1)
IUPAC
aniline;hydrochloride
현지명
염산 아닐린
영어명
Aniline hydrochloride
분자식
C6H8ClN
분자량
129.59

이름 및 동의어

ANILINE HYDROCHLORIDE142-04-1Anilinium chloridePhenylamine hydrochloridePhenylammonium chlorideChlorid anilinuSul anilinovaChlorhydrate d'anilineUSAF EK-442UN1548C.I. 76001aniline salt
이름 더 보기
아닐린수화염화물염산아닐린아닐린수화염화물아닐린 하이드로클로라이드아닐린염화물ANILINE HCLAnilinhydrochloridusafek-442sulanilinovachloridanilinuanilinechlorideAnilinechlofide
DTXSID3020091Hydrochloride benzenamideNSC-7910576R1193YLDTXCID1091UN-1548Benzenamine hydrochlorideRefChem:561626

데이터베이스 식별자

CAS
142-04-1、97467-77-1
PubChem CID
8870
DTXSID
DTXSID3020091
ChEMBL
CHEMBL3182415
UNII
576R1193YL
EC Number
205-519-8、306-925-9

물성

구조 계산 물성보충 중

극성 표면적
26 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
46

실험 및 물리화학적 성질

Density · 2건

1.2215 (NTP, 1992) - Denser than water; will sink

1.22 g/cm³

Solubility · 2건

less than 1 mg/mL at 64 °F (NTP, 1992)

Solubility in water, g/100ml at 20 °C: 107

Flash Point · 2건

380 °F (NTP, 1992)

193 °C o.c.

Boiling Point · 2건

473 °F at 760 mmHg (NTP, 1992)

245 °C

Melting Point · 2건

388 °F (NTP, 1992)

196-202 °C

Vapor Density · 2건

4.46 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 4.46

Physical Description · 3건

Aniline hydrochloride appears as a white to greenish colored crystalline solid. Toxic by ingestion and a skin and eye irritant. May emit toxic aniline and chloride fumes under exposure to high temperatures or flame. Used to make dyes and printing ink.

White hygroscopic solid; Darkens on exposure to air and light; [ICSC] White to greenish solid; [CAMEO] White or black solid; [NTP] Off-white crystalline powder with a weak odor; Hygroscopic; [Alfa Aesar MSDS]

HYGROSCOPIC WHITE CRYSTALS. TURNS DARK ON EXPOSURE TO AIR AND LIGHT.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (98.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (98.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H331 (98.1%): Toxic if inhaled [Danger Acute toxicity, inhalation];H341 (98.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H351 (100%): Suspected of causing cancer [Warning Carcinogenicity];H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzenamine, hydrochloride

Hazard Traits - Carcinogenicity;Authoritative List - IARC Carcinogens - 2A; Prop 65;Report - regardless of intended function of ingredient in the product

Anilinium chloride: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

용도 및 제조

UsesUsed to make dyes and printing inks; [CAMEO]
General Manufacturing InformationBenzenamine, hydrochloride (1:1): ACTIVE
응용 분야 · 3건

개요Aniline (hydrochloride) (Item No. 21963) is an analytical reference standard that is structurally categorized as a synthetic intermediate. It is used to make the imine derivative of NPP as part of the synthesis of fentanyl (Item Nos. 14719 | ISO60197 ) and its derivatives. This product is intended for research and forensic applications.

용도Aniline hydrochloride was used in the preparation of polyaniline coated poly(styrene-co-styrene sulfonate) nanoparticles. It was used to study the induction of Nei-like DNA glycosylases (NEIL1/2)-mediated base excision repair(BER) in rat spleen and 8-oxoguanine glycosylase 1-mediated BER due to aniline exposure. It is used in printing inks, clothing marking inks, paints and paint removers. It is also used as a stove polisher and shoe polisher, as well as in the synthesis of dyes, crayons and antioxidants.

일반 설명A white to greenish colored crystalline solid. Toxic by ingestion and a skin and eye irritant. May emit toxic aniline and chloride fumes under exposure to high temperatures or flame. Used to make dyes and printing ink.

상·하류 제품 정보

상류 원료

아닐린염산

관련 반응

72건
반응 기록 만들기
HRID 5566 반응식
HRID 5566반응물로uspto-grants-1993_09
HRID 33078 반응식
HRID 33078반응물로uspto-grants-2008_09
HRID 34462 반응식
HRID 34462반응물로uspto-grants-1988_08
HRID 36625 반응식
HRID 36625반응물로uspto-grants-1995_05
HRID 38365 반응식
HRID 38365반응물로uspto-grants-2013_09
HRID 38400 반응식
HRID 38400반응물로uspto-grants-2013_09
HRID 38429 반응식
HRID 38429반응물로uspto-grants-2013_09
HRID 65551 반응식
HRID 65551반응물로uspto-grants-1978_12
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화합물 노트

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물리화학적 성질

녹는점
196 · 196-198 °C(lit.)
끓는 점
245 °C · 245 °C
밀도
1.2215 · 1.2215
증기 밀도
4.46 · 4.46 (vs air)
굴절률
1.533 · 1.5330 (estimate)
인화점
380 °F · 380 °F
저장 조건
30 °C · Store below +30°C.
용해도
1070 g/l · 1070g/l
물리적 상태
가루
색상
흰색~연한 노란색 크림
수용성
1070 g/L · 1070g/L(25℃)
Merck
14 · 14,659
BRN
3593823 · 3593823
안정성
안정적인. 강한 산화제, 강산과 호환되지 않습니다.
InChI
1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey
MMCPOSDMTGQNKG-UHFFFAOYSA-N
SMILES
Cl.Nc1ccccc1
NIST
Benzenamine, hydrochloride(142-04-1)
EPA
Aniline hydrochloride (142-04-1)

화학적 성질

Aniline hydrochloride, a white to greenishcrystalline solid that meltsat 198°C and boils at 245 °C;soluble in water,alcohol, and chloroform; used in making dyes and in printing. Also known as anilinechloride,anilinesalt.

Other Safety Information
Evaluation - Aniline and its salts
DOT LabelPoison
Fire Hazards · 3건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)

· Combustible material: may burn but does not ignite readily.;· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Corrosives in contact with metals may evolve flammable hydrogen gas.;· Containers may explode when heated.;· Runoff may pollute waterways.;· Substance may be transported in a molten form.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with oxidizing agents.

Health Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.;· Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears).;· Contact with molten substance may cause severe burns to skin and eyes.;· Avoid any skin contact.;· Fire may produce irritating, corrosive and/or toxic gases.;· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination.

Hazards Summary · 1건

A skin, eye, and respiratory tract irritant; May induce methemoglobinemia; May cause skin sensitization; Can be absorbed through skin; [ICSC] Causes severe skin and eye irritation; Toxic by ingestion, inhalation, and skin absorption; Evidence for carcinogenicity in rats but not in mice; [NTP] An eye irritant that may cause serious injury; May cause skin sensitization; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See 2021 (Volume 127) monograph at IARC. See Aniline.

DOT ID and Guide1548 153
Reactive GroupSalts, Acidic
EC ClassificationSymbol: T, N; R: 23/24/25-40-41-43-48/23/24/25-68-50; S: (1/2)-26-27-36/37/39-45-61-63; Note: A
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III
Reactivity ProfileANILINE HYDROCHLORIDE is incompatible with oxidizing materials. (NTP, 1992)
Chemical DangersDecomposes on heating and on contact with acids. This produces toxic and corrosive fumes including aniline, nitrogen oxides and hydrogen chloride. Reacts violently with oxidants. This generates fire and explosion hazard.

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

Use water spray, powder, foam, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.;· DO NOT GET WATER INSIDE CONTAINERS.

First Aid · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital.;OTHER: Since this chemical is a known or suspected carcinogen you should contact a physician for advice regarding the possible long term health effects and potential recommendation for medical monitoring. Recommendations from the physician will depend upon the specific compound, its chemical, physical and toxicity properties, the exposure level, length of exposure, and the route of exposure. (NTP, 1992)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

Safe StorageSeparated from strong oxidants, strong acids and food and feedstuffs. Dry. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Exposure Control and Personal Protection · 1건

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Nonfire Spill Response · 1건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure;· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;Spill;· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.;· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.;Fire;· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. NO contact with oxidizing agents.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

독성 정보

Adverse Effects · 1건

Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.;IARC Carcinogen - Class 2: International Agency for Research on Cancer classifies chemicals as probable (2a), or possible (2b) human carcinogens.

Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4건

Cough. Sore throat. Blue lips, fingernails and skin. Confusion. Convulsions. Dizziness. Headache. Nausea. Unconsciousness.

MAY BE ABSORBED! Redness.

Redness.

See Inhalation.

ICSC Environmental DataThe substance is very toxic to aquatic organisms.
Carcinogen Classification · 6건

Aniline hydrochloride

Group 2A: Probably carcinogenic to humans

Volume 127: (2021) Some Aromatic Amines and Related Compounds

2021 online

2020

Aniline hydrochloride

RAIS Toxicity Values · 4건

1.6e-06

CALEPA

0.0057

CALEPA

규제 정보

Regulatory Information · 4건

Chemical: Benzenamine, hydrochloride

Hazard Traits - Carcinogenicity;Authoritative List - IARC Carcinogens - 2A; Prop 65;Report - regardless of intended function of ingredient in the product

Anilinium chloride: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CY0875000
ridadr
UN 1548
독성
LD50 orally in Rabbit: 840 mg/kg
HS 번호
29214100
risk_code
23/24/25-40-41-43-48/23/24/25-50-68
hazard_code
T,N
safety_code
26-27-36/37/39-45-61-63-46
포장분류
III
위험 등급
6.1
기존화학 물질
KE-05-0143
F 고인화성물질
3-9
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
함량 및 규제정보
물질구분: 유독물질; 혼합물(제품)함량정보: 아닐린과 그 염류 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링
97-1-156
중점관리물질 필터링
별표2-41

하류 제품

아이오도벤젠4-N-DECYLANILINE설파닐아미드클로로벤젠2-페닐퀴놀린-4-올1-phenylguanidineN-메틸라닐린염산염4-HEXADECYLANILINEETHYL N-PHENYLFORMIMIDATE4-메틸-N-페닐벤젠설포아마이드2,4'-메틸렌다이아닐린트리스(p-아미노페닐)메탄올