2-Bromo-4-methylaniline (HCID 11422)

개요

structure in first source

이름 및 식별자

우선 이름: 2-Bromo-4-methylaniline
IUPAC: 2-bromo-4-methylaniline
영어명: 2-Bromo-4-methylaniline
분자식: C7H8BrN
분자량: 186.05

이름 및 동의어

2-Bromo-4-methylaniline583-68-62-Bromo-p-toluidineBenzenamine, 2-bromo-4-methyl-2-bromo-4-methylphenylamineNSC-70928R3L8JW7L2DTXSID1060396RefChem:561676DTXCID6042361209-515-74-Amino-3-bromotoluene

이름 더 보기

4-methyl-2-bromoaniline2-Bromo-p-toluidAKOS BBS-000036522-Brom-p-toluidin2-bromo-p-toluidino-Bromo-p-toluidine2-Bromo-4-methylanil

2-Bromo-4-methylbenzenamine2-bromo-4-methyl-phenylamine3-bromo-4-aminotoluenep-TOLUIDINE, 2-BROMO-MFCD000076352-bromo-4-methyl-aniline2-Bromo-4-toluidine2-Bromotoluidine

데이터베이스 식별자

CAS: 583-68-6
PubChem CID: 11422
DTXSID: DTXSID1060396
UNII: 8R3L8JW7L2
EC Number: 209-515-7
Nikkaji: J85.080B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 14 · 14-16 °C (lit.)
끓는 점: 240 °C · 240 °C (lit.)
밀도: 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.602(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 2.97 · 2.97±0.10(Predicted)
색상: 진한 노란색에서 진한 베이지까지
Specific Gravity: 1.5 · 1.500
수용성: 물에 불용성.
BRN: 1931711 · 1931711
안정성: 공기에 민감한
InChI: 1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: UVRRJILIXQAAFK-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(Br)c1
NIST: 2 · Benzenamine, 2-bromo-4-methyl-(583-68-6)
EPA: 2 · Benzenamine, 2-bromo-4-methyl- (583-68-6)

화학적 성질

clear light yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XU4300000
ridadr: UN 2810 6.1/PG 3
HS 번호: 29214300
risk_code: 23/24/25-36/37/38-33-20/21/22
hazard_code: T,Xi,Hazard
safety_code: 36/37/39-45-26
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant/Toxic
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 2-bromo-4-methyl-: INACTIVE

응용 분야 · 2건

용도2-Bromo-4-methylaniline has been used in the synthesis of iminophosphoranes.

일반 설명2-Bromo-4-methylaniline participates in palladium catalyzed selective amination of 3-bromoquinoline to yield 3-(2-bromo-4-methylphenylamino) quinoline. It reacts with ethyl and methyl imidazo[1,2-a]pyridine-2-carboxylates in the presence of Me3Al to form amide.

상·하류 제품 정보

상류 원료

하류 제품

2-Bromo-4-methylphenol 3-브로모톨루엔 2-BROMO-4-METHYLBENZONITRILE 5-메틸린돌 2'-브로모-4'-메틸아세타닐리드 5-메틸린돌-3-카르복실산메틸에스테르 5-메틸-2-페닐린돌 2-클로로-6-메틸벤조티아졸 2-아미노-5-메틸-벤조니트릴 2-브로모-4-메틸벤즈알데히드

공급사50 곳

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연결된 노트

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2-Bromo-4-methylaniline

기본 정보

개요