基本情報
- 標準SMILES
Cl.Nc1ccccc1- InChIKey
MMCPOSDMTGQNKG-UHFFFAOYSA-N- 分子式
- C6H8ClN
- 平均分子量
- 129.59 g/mol
- 単同位体質量
- 129.034527
名称と識別子
- 優先名称
- Benzenamine hydrochloride (1:1)
- IUPAC
- aniline;hydrochloride
- 現地名
- 塩酸アニリン
- 英語名
- Aniline hydrochloride
- 分子式
- C6H8ClN
- 分子量
- 129.59
名称と別名
名称をさらに表示
データベース識別子
- CAS
142-04-1、97467-77-1- PubChem CID
- 8870
- DTXSID
DTXSID3020091- ChEMBL
CHEMBL3182415- UNII
- 576R1193YL
- EC Number
- 205-519-8、306-925-9
物性
構造計算による物性
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 46
実験および物理化学的性質
Density
1.2215 (NTP, 1992) - Denser than water; will sink
1.22 g/cm³
Solubility
less than 1 mg/mL at 64 °F (NTP, 1992)
Solubility in water, g/100ml at 20 °C: 107
Flash Point
380 °F (NTP, 1992)
193 °C o.c.
Boiling Point
473 °F at 760 mmHg (NTP, 1992)
245 °C
Melting Point
388 °F (NTP, 1992)
196-202 °C
Vapor Density
4.46 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 4.46
Physical Description
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.
物理化学的性質
- 融点
- 196 · 196-198 °C(lit.)
- 沸点
- 245 °C · 245 °C
- 比重(密度)
- 1.2215 · 1.2215
- 蒸気密度
- 4.46 · 4.46 (vs air)
- 屈折率
- 1.533 · 1.5330 (estimate)
- 闪点
- 380 °F · 380 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 1070 g/リットル · 1070g/リットル
- 外見
- 粉
- 色
- 白色~淡黄色クリーム
- 水溶解度
- 1070 g/L · 1070g/L(25℃)
- Merck
- 14 · 14,659
- BRN
- 3593823 · 3593823
- 安定性
- 安定。強酸化剤、強酸とは相容れない。
- InChI
- 1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
- InChIKey
- MMCPOSDMTGQNKG-UHFFFAOYSA-N
- SMILES
- Cl.Nc1ccccc1
- CAS データベース
- 142 · 142-04-1(CAS DataBase Reference)
- NISTの化学物質情報
- Benzenamine, hydrochloride(142-04-1)
- EPAの化学物質情報
- Aniline hydrochloride (142-04-1)
化学的性質
化学的特性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.
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Regulatory Information
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.)
Fire Hazards
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
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
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.
安全と保護具
Fire Fighting
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
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
· 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
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.
Exposure Control and Personal Protection
· 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
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
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
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.
毒性情報
Adverse Effects
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.
Signs and Symptoms
Cough. Sore throat. Blue lips, fingernails and skin. Confusion. Convulsions. Dizziness. Headache. Nausea. Unconsciousness.
MAY BE ABSORBED! Redness.
Redness.
See Inhalation.
Carcinogen Classification
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
1.6e-06
CALEPA
0.0057
CALEPA
法規制情報
Regulatory Information
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.)
安全データ
- F
- 3-9
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CY0875000
- ridadr
- UN 1548
- 毒性
- LD50 orally in Rabbit: 840 mg/kg
- hs_code
- 29214100
- risk_code
- 23/24/25-40-41-43-48/23/24/25-50-68
- 化審法
- 優先評価化学物質
- hazard_code
- T,N
- safety_code
- 26-27-36/37/39-45-61-63-46
- hazard_class
- 6.1
- packing_group
- III
- 毒劇物取締法
- III
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
用途と製造
応用分野
解説塩酸アニリン,塩化アニリニウムともいう。白色の板状晶であるが、空気や光により着色する。水、アルコールに易溶だが、ベンゼン、エーテルには不溶。発癌(はつがん)性の疑いがある。[山本 学][参照項目] | アニリン | アニリン染料 | アニリンブラック | 合成染料 | 染料[補完資料] | 塩酸アニリン(データノート)小学館 日本大百科全書(ニッポニカ) )
用途染料アニリンブラックの原料。メチルアニリンなどの染料中間体の原料。
説明Aniline (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.
使用Aniline 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.
一般的な説明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.
使用用途アニリン塩酸塩の主な使用用途は、染料原料及び有機合成原料です。アニリン塩酸塩を酸化するとアニリンブラックという不溶性の黒色染料となることが知られており、繊維質上でこの反応を行うことによる染色方法があります。 また、5度以下でアニリン塩酸塩と亜硝酸を反応させると、塩化ベンゼンジアゾニウムが生成します。この塩化ベンゼンジアゾニウムはフェノール塩と混合するとジアゾカップリングを起こす物質です。 ジアゾカップリングの生成物は、赤から黄色の色素であるため、染色に用いられます。また、アニリン塩酸塩は、アニリン合成における中間体としても用いられる物質です。
調製方法
純化方法Purification is as for aniline HBr above. [Beilstein 12 IV 232.]
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