3-Bromo-4-methoxyphenylacetonitrile

HCID 522655

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 772-59-8
표준 SMILES: COc1ccc(CC#N)cc1Br
InChIKey: OBJKHHRZMIIEOK-UHFFFAOYSA-N
분자식: C9H8BrNO
평균 분자량: 226.07 g/mol
단동위원소 질량: 224.97893

이름 및 식별자

우선 이름: 3-Bromo-4-methoxyphenylacetonitrile
IUPAC: 2-(3-bromo-4-methoxyphenyl)acetonitrile
영어명: 3-Bromo-4-methoxyphenylacetonitrile
분자식: C9H8BrNO
분자량: 226.07

이름 및 동의어

3-Bromo-4-methoxyphenylacetonitrile772-59-8DTXSID90335030RefChem:93177DTXCID90286119OBJKHHRZMIIEOK-UHFFFAOYSA-N2-(3-bromo-4-methoxyphenyl)acetonitrile3-Bromo-4-methoxybenzyl CyanideMFCD000163912-(3-bromo-4-methoxyphenyl)ethanenitrile(3-Bromo-4-methoxyphenyl)acetonitrileBenzeneacetonitrile, 3-bromo-4-methoxy-

이름 더 보기

3-Bromo-4-methoxybenzyl Cyanide >3-Bromo-4-methoxyphenylacetonitrile3-Bromo-4-Methoxyphenylacetonitrile, 10 mM in DMSO

A839019SCHEMBL150589orb1296811orb1940053AAA77259SBB058927TN7190AKOS009156590

데이터베이스 식별자

CAS: 772-59-8
PubChem CID: 522655
DTXSID: DTXSID90335030
EC Number: 674-065-4
Nikkaji: J254.915H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 50 · 50-53°C
끓는 점: 175 · 175-178°C 6mm
밀도: 1.45 · 1.450±0.06 g/cm3(Predicted)
인화점: 175 · 175-178°C/6mm
저장 조건: Store at room temperature
용해도: 메탄올에 용해됨
BRN: 2094194 · 2094194

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312 (82.6%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 46 reports by companies from 5 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.