3-Fluoro-4-methoxyphenylacetonitrile

HCID 136251CAS 404-90-0

기본 정보

표준 SMILES: COc1ccc(CC#N)cc1F
InChIKey: OFCMGCZEFVKTAN-UHFFFAOYSA-N
분자식: C9H8FNO
평균 분자량: 165.16 g/mol
단동위원소 질량: 165.0589921

이름 및 식별자

우선 이름: 3-Fluoro-4-methoxyphenylacetonitrile
IUPAC: 2-(3-fluoro-4-methoxyphenyl)acetonitrile
영어명: 3-Fluoro-4-methoxyphenylacetonitrile
분자식: C9H8FNO
분자량: 165.16

이름 및 동의어

404-90-03-Fluoro-4-methoxyphenylacetonitrileDTXSID80193404RefChem:93913DTXCID50115895OFCMGCZEFVKTAN-UHFFFAOYSA-N3-Fluoro-4-methoxylphenylacetonitrile3-Fluoro-4-methoxybenzyl cyanide2-(3-fluoro-4-methoxyphenyl)acetonitrileMFCD000408893-Fluoro-4-methoxybenzylcyanide(3-fluoro-4-methoxyphenyl)acetonitrile

이름 더 보기

3-Fluoro-4-Methoxylacetonitrile4-(Cyanomethyl)-2-fluoroanisole3-Fluoro-4-methoxybenzeneacetonitrile3-Fluoro-4-methoxyphenylacetonitrile98%

Benzeneacetonitrile, 3-fluoro-4-methoxy-2-(3-fluoro-4-methoxy-phenyl)acetonitrileSCHEMBL988906SBB079121AKOS001107572CS-W021918FS-1544DA-18008

데이터베이스 식별자

CAS: 404-90-0
PubChem CID: 136251
DTXSID: DTXSID80193404
EC Number: 642-515-9
Nikkaji: J2.363.178D

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 46 · 46-48°C
끓는 점: 99 · 99-105 °C(Press: 0.5 Torr)
밀도: 1.148 · 1.148±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 융합된 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.