CAS 179897-89-3 5-Bromo-2-fluorobenzonitrile (HCID 2724900)

이름 및 식별자

우선 이름: 5-Bromo-2-fluorobenzonitrile
IUPAC: 5-bromo-2-fluorobenzonitrile
영어명: 5-Bromo-2-fluorobenzonitrile
분자식: C7H3BrFN
분자량: 200.01

이름 및 동의어

5-Bromo-2-fluorobenzonitrile179897-89-3DTXSID10369276RefChem:533218DTXCID60320312605-873-7Benzonitrile, 5-bromo-2-fluoro-2-FLUORO-5-BROMOBENZONITRILEMFCD001434243-CYANO-4-FLUOROBROMOBENZENE5-bromo-2-fluorobenzenecarbonitrile3-cyano-4-flurobromobenzene

이름 더 보기

CAS:179897-89-3Olapali impurity 6Olapali impurity 172- fluorine-5-broMoxynil2-Flouro-5-bromobenzonitrile2-Fliuoro-5-broMo Benzonitrile5-Bromo-2-fluorobenzonitrile98%

3-bromo-6-fluorobenzonitrileCS-D0996PS-8214Z579003553-cyano-4-fluoro-bromobenzene5-bromo-2-fluoro-benzonitrileAM613645-bromanyl-2-fluoranyl-benzenecarbonitrile

데이터베이스 식별자

CAS: 179897-89-3
PubChem CID: 2724900
DTXSID: DTXSID10369276
UNII: GHT9224HTH
EC Number: 605-873-7
Nikkaji: J835.876A

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: 76 · 76-81 °C
끓는 점: 220.4 · 220.4±20.0 °C(Predicted)
밀도: 1.7286 · 1.7286 (rough estimate)
굴절률: 1.532 · 1.5320 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
BRN: 7701063 · 7701063
InChI: InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey: GYCNHFWRPJXTSB-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(Br)=CC=C1F

화학적 성질

white to off-white powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]

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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (92%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 29269090
risk_code: 36/37/38-20/21/22
hazard_code: Xn,T,Xi
safety_code: 36/37/39-26-22-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-fluorobenzonitrile may be used for the preparation of the following compounds:(E)-5-(2-cyclopropylvinyl)-2-fluorobenzonitrile and methyl-3-amino-5-bromobenzo[b]thiophene-2-carboxylate(S)-[2-[5-(3-cyano-4-fluoro-phenyl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester4-fluoro-3-cyano-3′-tributyltinbenzhydrol4-fluoro-3-cyano-3′-iodobenzhydrol