CAS 114897-91-5 2-(4-Bromo-2-fluorophenyl)acetonitrile (HCID 7172308)

기본 정보

CAS: 114897-91-5
표준 SMILES: N#CCc1ccc(Br)cc1F
InChIKey: QLASQEZPJFNZQC-UHFFFAOYSA-N
분자식: C8H5BrFN
평균 분자량: 214.03 g/mol
단동위원소 질량: 212.95893948

이름 및 식별자

우선 이름: 2-(4-Bromo-2-fluorophenyl)acetonitrile
IUPAC: 2-(4-bromo-2-fluorophenyl)acetonitrile
현지명: 4-브로모-2-플루오로벤질시안화물
영어명: 4-BROMO-2-FLUOROBENZYL CYANIDE
분자식: C8H5BrFN
분자량: 214.03

이름 및 동의어

2-(4-bromo-2-fluorophenyl)acetonitrileRefChem:456922640-324-5114897-91-54-Bromo-2-fluorobenzyl cyanide4-BROMO-2-FLUOROPHENYLACETONITRILEBenzeneacetonitrile, 4-bromo-2-fluoro-(4-bromo-2-fluorophenyl)acetonitrile2-Fluoro-4-bromophenylacetonitrileMFCD073686532-(4-bromo-2-fluoro-phenyl)acetonitrile4-Bromo-2-fluorobenzylcyanide

이름 더 보기

4-브로모-2-플루오로벤질시안화물Fluoro-4-bromophenyl acetonitrile4-bromo-2-fluorobenzeneacetonitrile2-Fluoro-4-bromobenzeneacetonitrile4-Bromo-2-fluorobenzyl cyanide, 98+%4-BroMo-2-fluorobenzyl cyanide, 98+% 5GR4-BroMo-2-fluorobenzyl cyanide, 98+% 25GR

2-(4-bromo-2-fluorophenyl)ethanenitrileSCHEMBL58254-Bromo-2-fluorobenzylcyaniSCHEMBL296094154-bromo-2-fluoro benzyl cyanideDTXSID10428296QLASQEZPJFNZQC-UHFFFAOYSA-NSBB055287

데이터베이스 식별자

CAS: 114897-91-5
PubChem CID: 7172308
DTXSID: DTXSID10428296
EC Number: 640-324-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 52.8 · 52.8-53 °C
끓는 점: 281 ℃ · 281℃
밀도: 1.573 · 1.573
인화점: 124 ℃ · 124℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색

화학적 성질

White to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.