2-Bromo-3-fluorobenzonitrile

HCID 2783393

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 425379-16-4
표준 SMILES: N#Cc1cccc(F)c1Br
InChIKey: DBECKESJFGWYFN-UHFFFAOYSA-N
분자식: C7H3BrFN
평균 분자량: 200.01 g/mol
단동위원소 질량: 198.94329

이름 및 식별자

우선 이름: 2-Bromo-3-fluorobenzonitrile
IUPAC: 2-bromo-3-fluorobenzonitrile
영어명: 2-Bromo-3-fluorobenzonitrile
분자식: C7H3BrFN
분자량: 200.01

이름 및 동의어

2-bromo-3-fluorobenzonitrile425379-16-4DTXSID60382632RefChem:257062DTXCID90333657696-566-72-Bromo-3-fluoro-benzonitrileMFCD07368773Benzonitrile, 2-bromo-3-fluoro-Benzonitrile,2-bromo-3-fluoro-2-bromo-3-fluorobenzenecarbonitrileSCHEMBL185325

이름 더 보기

2-BROMO-3-FLUOROBENZONITRIL2-Bromo-3-fluorobenzonitrile99%

SCHEMBL30151887DBECKESJFGWYFN-UHFFFAOYSA-NSBB064429TD1102AKOS015834903AB32074AC-4027CS-W003386

데이터베이스 식별자

CAS: 425379-16-4
PubChem CID: 2783393
DTXSID: DTXSID60382632
EC Number: 696-566-7
Nikkaji: J2.004.860C

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: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 60.2 · 60.2-61.3°C
끓는 점: 252.8 · 252.8±25.0 °C(Predicted)
밀도: 1.69 · 1.69±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 크림색
InChI: InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKey: DBECKESJFGWYFN-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC(F)=C1Br

화학적 성질

off-white crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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.；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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (66.7%)；STOT SE 3 (66.7%)