5-브로모-2-클로로-벤조일클로라이드

5-Bromo-2-chlorobenzoyl chloride

HCID 2756871

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21900-52-7
표준 SMILES: O=C(Cl)c1cc(Br)ccc1Cl
InChIKey: TZIQQJRRMJWMDI-UHFFFAOYSA-N
분자식: C7H3BrCl2O
평균 분자량: 253.9 g/mol
단동위원소 질량: 251.87443

이름 및 식별자

우선 이름: 5-Bromo-2-chlorobenzoyl chloride
IUPAC: 5-bromo-2-chlorobenzoyl chloride
현지명: 5-브로모-2-클로로-벤조일클로라이드
영어명: 5-Bromo-2-chloro-benzoyl chloride
분자식: C7H3BrCl2O
분자량: 253.91

이름 및 동의어

5-bromo-2-chlorobenzoyl chloride21900-52-7Benzoyl chloride, 5-bromo-2-chloro-DTXSID80373603RefChem:102117DTXCID80324635606-860-9TZIQQJRRMJWMDI-UHFFFAOYSA-N5-Bromo-2-chloro-benzoyl chlorideMFCD032089782-chloro-5-bromobenzoic acid chlorideDapagliflozin Impurity N50

이름 더 보기

5-브로모-2-클로로-벤조일클로라이드Dapagliflozin Impurity 70Dapagliflozin Impurity 55Dapagliflozin Impurity 70 CRS

SCHEMBL18163SCHEMBL303563855-Bromo-2-chloro-benzoylchloride2-chloro-5-bromo-benzoyl chloride37382CS4RM5-bromo-2-chloro benzoyl chlorideSTR10324AKOS009476110

데이터베이스 식별자

CAS: 21900-52-7
PubChem CID: 2756871
DTXSID: DTXSID80373603
UNII: 37382CS4RM
EC Number: 606-860-9
Nikkaji: J2.198.474D

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 281.4 · 281.4±25.0 °C(Predicted)
밀도: 1.763 · 1.763±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.