홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

alpha-Chloro-m-nitrotoluene

HCID 12078
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
619-23-8
표준 SMILES
O=[N+]([O-])c1cccc(CCl)c1
InChIKey
APGGSERFJKEWFG-UHFFFAOYSA-N
분자식
C7H6ClNO2
평균 분자량
171.58 g/mol
단동위원소 질량
171.00870611

개요

M-nitrobenzyl chloride is a yellow to brown solid. (NTP, 1992)

이름 및 식별자

우선 이름
alpha-Chloro-m-nitrotoluene
IUPAC
1-(chloromethyl)-3-nitrobenzene
영어명
3-Nitrobenzyl chloride
분자식
C7H6ClNO2
분자량
171.58

이름 및 동의어

3-Nitrobenzyl chloride619-23-81-(Chloromethyl)-3-nitrobenzenem-Nitrobenzyl chlorideBenzene, 1-(chloromethyl)-3-nitro-Toluene, alpha-chloro-m-nitro-ALPHA-CHLORO-M-NITROTOLUENEToluene, .alpha.-chloro-m-nitro-CCRIS 2324DTXSID4025743Toluene, alpha-chloro-3-nitro-HSDB 2680
이름 더 보기
AKOS BBS-00004022a-Chloro-3-nitrotolueneA-CHLORO-M-NITROTOLUENEà-chloro-3-nitrotolueneα-chloro-3-nitrotolueneα-Chloro-m-nitrotoluene?-chloro-3-nitrotoluene
NSC 9802EINECS 210-586-1OJL133898ONSC-9802DTXCID305743.ALPHA.-CHLORO-M-NITROTOLUENE [HSDB]mNitrobenzyl chloride3Nitrobenzyl chloride

데이터베이스 식별자

CAS
619-23-8
PubChem CID
12078
DTXSID
DTXSID4025743
ChEMBL
CHEMBL1344952
UNII
OJL133898O
EC Number
210-586-1
Nikkaji
J7.042D

물성

구조 계산 물성보충 중

XLogP
2.5
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
146

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesDensity
Color/FormPALE YELLOW NEEDLES FROM PETROLEUM ETHER
Solubility · 2건

less than 1 mg/mL at 72 °F (NTP, 1992)

INSOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE, ACETIC ACID; VERY SOL IN ETHYL ACETATE, ACETONE

Boiling Point · 2건

343 to 361 °F at 30-35 mmHg (NTP, 1992)

175-183 °C @ 30-35 MM HG

Melting Point · 2건

113 to 117 °F (NTP, 1992)

45-47 °C

Refractive IndexINDEX OF REFRACTION: 1.5577 @ 62 °C/D
Physical Description · 2건

M-nitrobenzyl chloride is a yellow to brown solid. (NTP, 1992)

Pale yellow solid; [HSDB] Tan or yellow crystalline solid; [MSDSonline]

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

DOT LabelCorrosive
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryA mutagen; [RTECS] Emergency treatment: methemoglobinemia; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1건

A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

DOT Emergency Guidelines · 5건

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Chlorotoluidines; Chlorotoluidines, liquid; Chlorotoluidines, solid/

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-(chloromethyl)-3-nitro-: ACTIVE

응용 분야

용도3-Nitrobenzyl chloride was used in the synthesis of 8-chloropurine.

일반 설명Yellow to brown solid.

상·하류 제품 정보

하류 제품

3-Nitrobenzylammonium hydrochloride3-니트로페닐라세토니트릴3-Aminophenylacetic acid3-Amino-N,N-dimethylbenzylamine

관련 반응

91건
반응 기록 만들기
HRID 87589 반응식
HRID 87589반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 138769 반응식
HRID 138769반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 158435 반응식
HRID 158435반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 164485 반응식
HRID 164485반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 169490 반응식
HRID 169490반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 177789 반응식
HRID 177789반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 197824 반응식
HRID 197824반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 214050 반응식
HRID 214050반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
1 / 12 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
녹는점
43 · 43-47 °C(lit.)
끓는 점
85 · 85-87 °C5 mm Hg(lit.)
밀도
1503 · 1503
굴절률
1.5577 · 1.5577 (estimate)
인화점
230 °F · >230 °F
용해도
메탄올에 용해됨
물리적 상태
결정질 고체
색상
밝은 노란색에서 밝은 갈색까지
수용성
22 · 22&C에서 <0.1g/100mL
BRN
742794 · 742794
InChI
1S/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChIKey
APGGSERFJKEWFG-UHFFFAOYSA-N
SMILES
[O-][N+](=O)c1cccc(CCl)c1
NIST
1 · Benzene, 1-(chloromethyl)-3-nitro-(619-23-8)
EPA
3 · 3-Nitrobenzyl chloride (619-23-8)

화학적 성질

yellow to brown crystalline solid

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: 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. 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. /Chlorotoluidines; Chlorotoluidines, liquid; Chlorotoluidines, solid/

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an 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. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Chlorotoluidines; Chlorotoluidines, liquid; Chlorotoluidines, solid/

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Chlorotoluidines; Chlorotoluidines, liquid; Chlorotoluidines, solid/

For more DOT Emergency Guidelines (Complete) data for ALPHA-CHLORO-M-NITROTOLUENE (8 total), please visit the HSDB record page.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 및 보호

Fire FightingFires involving this compound can be controlled using dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid · 1건

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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XS9090000
ridadr
UN 3261 8/PG 2
HS 번호
29049090
risk_code
34-36
hazard_code
C
safety_code
26-36/37/39-45-27
포장분류
II
위험 등급
8
F 고인화성물질
4.8-10-19-21
위험 참고 사항
Irritant
Hazard Classifications
Eye Dam. 1Skin Corr. 1B
스토리지 클래스
8A - Combustible corrosive hazardous materials
유해 물질 데이터
619-23-8(Hazardous Substances Data)