CAS 133541-45-4 4-Bromo-2,5-difluorobenzonitrile (HCID 14984912)

기본 정보

CAS: 133541-45-4
표준 SMILES: N#Cc1cc(F)c(Br)cc1F
InChIKey: YIEQHIRFLYNDKP-UHFFFAOYSA-N
분자식: C7H2BrF2N
평균 분자량: 218 g/mol
단동위원소 질량: 216.93387

이름 및 식별자

우선 이름: 4-Bromo-2,5-difluorobenzonitrile
IUPAC: 4-bromo-2,5-difluorobenzonitrile
현지명: 4-브로모-2,5-디플루오로벤조니트릴
영어명: 4-bromo-2,5-difluorobenzonitrile
분자식: C7H2BrF2N
분자량: 218

이름 및 동의어

4-Bromo-2,5-difluorobenzonitrile133541-45-4DTXSID30566548RefChem:290581DTXCID80517323837-700-8MFCD118470494-bromo-2,5-difluoro-benzonitrileBenzonitrile, 4-bromo-2,5-difluoro-SCHEMBL1630792SCHEMBL31746624YIEQHIRFLYNDKP-UHFFFAOYSA-N

이름 더 보기

4-브로모-2,5-디플루오로벤조니트릴2,5-difluoro-4-bromobenzonitrile

AKOS016004819CS-W005705AC-28614AS-20035DA-16616SY029144EN300-124068F069429

데이터베이스 식별자

CAS: 133541-45-4
PubChem CID: 14984912
DTXSID: DTXSID30566548
EC Number: 837-700-8

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 188

물리화학적 성질

끓는 점: 224.6 · 224.6±35.0 °C(Predicted)
밀도: 1.77 · 1.77±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: Off white to faint lemon crystals
InChI: InChI=1S/C7H2BrF2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
InChIKey: YIEQHIRFLYNDKP-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(F)=C(Br)C=C1F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

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

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2926907090

화학 및 산업

제조 방법

4-bromo-2,5-difluorobenzonitrile is prepared by the reaction of 4-Bromo-2,5-difluorobenzaldehyde and Hydroxylamine-O-sulfonic acid.

공급사100 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海策嵘生物科技有限公司[email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

불러오는 중…