4-브로모-3-메틸렌조니트릴

4-Bromo-3-methylbenzonitrile

HCID 2737494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41963-20-6
표준 SMILES: Cc1cc(C#N)ccc1Br
InChIKey: SKXUZFJOLNNWIG-UHFFFAOYSA-N
분자식: C8H6BrN
평균 분자량: 196.04 g/mol
단동위원소 질량: 194.96836129

이름 및 식별자

우선 이름: 4-Bromo-3-methylbenzonitrile
IUPAC: 4-bromo-3-methylbenzonitrile
현지명: 4-브로모-3-메틸렌조니트릴
영어명: 4-Bromo-3-methylbenzonitrile
분자식: C8H6BrN
분자량: 196.04

이름 및 동의어

4-Bromo-3-methylbenzonitrile41963-20-6DTXSID00372097RefChem:98132DTXCID50323130628-521-4SKXUZFJOLNNWIG-UHFFFAOYSA-N4-Bromo-3-Methyl-BenzonitrileMFCD000315384-bromo-3-methylbenzenecarbonitrilebenzonitrile, 4-bromo-3-methyl-4-bromo-3-methyl benzonitrile

이름 더 보기

4-브로모-3-메틸렌조니트릴4-Bromo-m-tolunitrileMethyl-4-bromobenzonitrile3-Methyl-4-bromobenzonitrile3-Methyl-4-bromocyanobenzene1-Bromo-4-cyano-2-methylbenzene4-BROMO-3-METHYLBENZONITRILE 98%41963-20-6 4-BROMO-3-METHYLBENZONITRILE2-Bromo-5-cyanotoluene, 4-Bromo-m-tolunitrile

4-Bromo-3-methylbenzonitrile, 97%AB01529SY014473Z1045107404-Bromo-3-methylbenzonitrile, 98%3-Methyl-4-bAM20050109SCHEMBL152218

데이터베이스 식별자

CAS: 41963-20-6
PubChem CID: 2737494
DTXSID: DTXSID00372097
EC Number: 628-521-4
Nikkaji: J267.312F

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 53 · 53-57 °C (lit.)
끓는 점: 129 · 129-130°C 5mm
밀도: 1.51 · 1.51
인화점: 205 °F · 205 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
색상: 진한 노란색
수용성: 물에 불용성.
BRN: 2354972 · 2354972
InChI: InChI=1S/C8H6BrN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChIKey: SKXUZFJOLNNWIG-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(Br)C(C)=C1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 2926907090
risk_code: 20/21/22
hazard_code: Xn,Xi
safety_code: 36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Bromo-3-methylbenzonitrile may be used to synthesize 2,4,6-tris(4-bromo-3-methyl-phenylene)-1,3,5-triazine and 4-fluoro-3-methylbenzonitrile.

상·하류 제품 정보

하류 제품

공급사100 곳

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

추가 설명 · 1건

정의4-Bromo-3-methylbenzonitrile (4B3MBN) is almost planar and the derivatives are used like midways in the production of phthalocyanine dyes. The surrogated phthalocyanine dyes are used for DSSC, photo redox responses and photodynamic cancer therapy[1].