3-Fluoro-4-methylbenzonitrile

HCID 585140CAS 170572-49-3

기본 정보

표준 SMILES: Cc1ccc(C#N)cc1F
InChIKey: KUQQONVKIURIQU-UHFFFAOYSA-N
분자식: C8H6FN
평균 분자량: 135.14 g/mol
단동위원소 질량: 135.04842741

이름 및 식별자

우선 이름: 3-Fluoro-4-methylbenzonitrile
IUPAC: 3-fluoro-4-methylbenzonitrile
영어명: 3-Fluoro-4-methylbenzonitrile
분자식: C8H6FN
분자량: 135.14

이름 및 동의어

3-Fluoro-4-methylbenzonitrile170572-49-3DTXSID10342862RefChem:501791DTXCID70293942626-846-6Benzonitrile, 3-fluoro-4-methyl-3-Fluoro-p-tolunitrile2-Fluoro-4-cyanotolueneMFCD001531743-fluoro-4-methylbenzenecarbonitrile4-cyano-2-fluorotoluene

이름 더 보기

3-Fluoro-4-methylben3-Fluoro-p-tolunitrile>Fluoro-4-methylbenzonitrile3-Fluoro-p-tolunitrile (CN=1)4-METHYL-3-FLUOROBENZONITRILE4-Cyano-2-fluoro-1-methylbenzene

3-fluoro-4-methyl-benzonitrile3-fluoro-4methylbenzonitrileSCHEMBL100004orb3030368SCHEMBL13128494-Methyl-3-fluoro-benzonitrile3-Fluoro-4-methylbenzonitrile #Fr13964

데이터베이스 식별자

CAS: 170572-49-3
PubChem CID: 585140
DTXSID: DTXSID10342862
EC Number: 626-846-6
Nikkaji: J1.298.332H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 47 · 47-51 °C
끓는 점: 204 °C · 204°C
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
인화점: 182 °F · 182 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 7700177 · 7700177
InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey: KUQQONVKIURIQU-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(C)C(F)=C1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.