5-Bromo-2-chlorobenzoic acid (HCID 33127)

이름 및 식별자

우선 이름: 5-Bromo-2-chlorobenzoic acid
IUPAC: 5-bromo-2-chlorobenzoic acid
영어명: 5-Bromo-2-chlorobenzoic acid
분자식: C7H4BrClO2
분자량: 235.46

이름 및 동의어

5-Bromo-2-chlorobenzoic acid21739-92-4Benzoic acid, 5-bromo-2-chloro-DTXSID40176132EINECS 244-558-5RefChem:533141DTXCID6098623244-558-52-Chloro-5-bromobenzoic acidMFCD000024155-Bromo-2-Chloro benzoic acidDapagliflozin Impurity 33

이름 더 보기

BCBA5-Br-2-CI Benzoic acid5-bromo-2-chlorobenzoate5-Bromo-2-chlorobenzoicaciEmpagliflozin Impurity 1822-chloro 5-bromo bezoic acid5-Bromo-2-Chlorobenzoci Acid5-Bromo-2-chlorobenzoic(BCBA)

5-bromo-2-chloro-benzoic acid5-bromo-2-chorobenzoic acid5-Bromo-2-chlorobenzoic acid, 98%AKOS000119557EN300-20497AB01331421-02BCP07097MFK3MYA2FZ

데이터베이스 식별자

CAS: 21739-92-4
PubChem CID: 33127
DTXSID: DTXSID40176132
UNII: MFK3MYA2FZ
EC Number: 244-558-5
Nikkaji: J295J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 154 · 154-156 °C (lit.)
끓는 점: 324.5 · 324.5±27.0 °C(Predicted)
밀도: 1.7312 · 1.7312 (rough estimate)
굴절률: 1.559 · 1.5590 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 2.63 g/L · 2.63g/L
산도 계수 (pKa): 2.49 · 2.49±0.25(Predicted)
물리적 상태: 고체
색상: 황백색의 분말
수용성: 2.63 g/L · 물에 용해됨 2.63g/L @20°C.
BRN: 2691432 · 2691432
InChI: InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: FGERXQWKKIVFQG-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Br)=CC=C1Cl
NIST: 5 · 5-Bromo-2-chlorobenzoic acid(21739-92-4)
EPA: 5 · Benzoic acid, 5-bromo-2-chloro- (21739-92-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20063

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-bromo-2-chloro-: ACTIVE

응용 분야 · 2건

개요5-Bromo-2-chlorobenzoic acid (BCBA) is an organic reagent that can be used in electroinduced dehalogenation reactions. Ag/Cu electrodes exhibit high electrocatalytic activity in the dehalogenation reaction of BCBA. The process is characterised by a sequence of halide excretion and hydrogen addition. Since the bond dissociation energy value of C-Br bond is smaller than that of C-Cl bond, Br-w is more easily released from the benzene ring. As C-Br breaks, BCBA gains electrons and hydrogen to form the intermediate 2-chlorobenzoate. C-Cl then breaks in the same way to give the final product benzoate.

용도5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.

상·하류 제품 정보

상류 원료

하류 제품

5'-BROMO-2'-CHLOROACETOPHENONE 5-브로모-2-클로로-벤조일클로라이드 Bexagliflozin ETHYL 5-BROMO-2-CHLOROBENZOATE 4-(5-broMo-2-클로로벤질)페놀 2-(5-Bromo-2-chloro-phenyl)-1H-benzoimidazole (5-브로모-2-클로로페닐)(4-플루오로페닐)메탄온 5-브로모-2-클로로-N-시클로프로필벤즈아미드 [1,1'-Biphenyl]-3-carboxylic acid, 4-chloro-3'-fluoro-2,5-비스(2,2,2-트리플루오로에톡시)벤조산 (2S,3R,4R,5S,6R)-2-(4-chloro-3-((4-ethoxyphenyl)(methoxy) methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (5-브로모-2-클로로페닐)(4-에톡시페닐)메타논

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南诚汇双达生物有限公司053158897070 15550412551

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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5-Bromo-2-chlorobenzoic acid

기본 정보