2-FLUORO-4-(HYDROXYMETHYL)벤조니트릴

2-Fluoro-4-(hydroxymethyl)benzonitrile

HCID 11829631

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 222978-02-1
표준 SMILES: N#Cc1ccc(CO)cc1F
InChIKey: WLQHJQUGYACADR-UHFFFAOYSA-N
분자식: C8H6FNO
평균 분자량: 151.14 g/mol
단동위원소 질량: 151.04334203

이름 및 식별자

우선 이름: 2-Fluoro-4-(hydroxymethyl)benzonitrile
IUPAC: 2-fluoro-4-(hydroxymethyl)benzonitrile
현지명: 2-FLUORO-4-(HYDROXYMETHYL)벤조니트릴
영어명: 2-FLUORO-4-(HYDROXYMETHYL)BENZONITRILE
분자식: C8H6FNO
분자량: 151.14

이름 및 동의어

2-fluoro-4-(hydroxymethyl)benzonitrile222978-02-14-Cyano-3-fluorobenzyl alcohol2-Fluoro-4-(hydroxymethyl)benzenecarbonitrileMFCD08236861SCHEMBL31640503-fluoro-4-cyanobenzyl alcoholBENZONITRILE, 2-FLUORO-4-(HYDROXYMETHYL)-4-cyano-3-fluoro-benzyl alSCHEMBL15018427SCHEMBL169533144-cyano-3-fluoro-benzyl alcohol

이름 더 보기

2-FLUORO-4-(HYDROXYMETHYL)벤조니트릴Benzonitrile, 2-fluoro-4-(hydroxymethyl)- (9CI)

DTXSID10473983WLQHJQUGYACADR-UHFFFAOYSA-N2-Fluoro-4-hydroxymethylbenzonitrileCL8922SBB0867582-Fluoro-4-hydroxymethyl-benzonitrileAKOS005072202AB44199

데이터베이스 식별자

CAS: 222978-02-1
PubChem CID: 11829631
DTXSID: DTXSID10473983
EC Number: 139-020-0

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 44 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 66 · 66-68
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.