기본 정보
- CAS
42860-02-6- 표준 SMILES
O=C(O)c1cc(Cl)cc(Br)c1- InChIKey
PBRRUJWXRUGGAW-UHFFFAOYSA-N- 분자식
- C7H4BrClO2
- 평균 분자량
- 235.46 g/mol
- 단동위원소 질량
- 233.90832
이름 및 식별자
- 우선 이름
- 3-Bromo-5-chlorobenzoic acid
- IUPAC
- 3-bromo-5-chlorobenzoic acid
- 영어명
- 3-BROMO-5-CHLOROBENZOIC ACID
- 분자식
- C7H4BrClO2
- 분자량
- 235.46
이름 및 동의어
3-Bromo-5-chlorobenzoic acid42860-02-6DTXSID10275020RefChem:93194DTXCID80226468630-135-63-Bromo-5-ChlorobenzoicAcidMFCD06797227Benzoic acid, 3-bromo-5-chloro-5-bromo-3-chlorobenzoic acidSCHEMBL560354CL8073
이름 더 보기
CBPABenzoic acid,3-broMo-5-chloro-3-Bromo-5-chlorobenzoic Acid >3-Bromo-5-chlorobenzoic acid 98%3-BROMO-5-CHLOROBENZOIC ACID ISO 9001：2015 REACH
AKOS015834263CS-W004992AB29578PS-7659SY024815B4191EN300-1074643-bromo-5-chloro-benzoic Acid
데이터베이스 식별자
- CAS
42860-02-6- PubChem CID
- 33128
- DTXSID
DTXSID10275020- EC Number
- 630-135-6
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 37.3 Ų
- 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
- 190 · 190-192
- 끓는 점
- 332 · 332.0±27.0 °C(Predicted)
- 밀도
- 1.809 · 1.809
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.44 · 3.44±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- InChI
- InChI=1S/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
- InChIKey
- PBRRUJWXRUGGAW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(Cl)=CC(Br)=C1
화학적 성질
off-white solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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 8 reports by companies from 6 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 (37.5%)；Skin Irrit. 2 (87.5%)；Eye Irrit. 2 (87.5%)；STOT SE 3 (75%)
안전 데이터
- HS 번호
- 2916399090
- hazard_code
- Xi
- 위험 참고 사항
- Harmful/Irritant/Keep Cold
화학 및 산업
응용 분야
용도3-Bromo-5-chlorobenzoic acid, as an aromatic bromic acid, can be used to synthesize inhibitors of phosphodiesterase PDE4 and cholinergic receptors (mACHRs), and can also be used to synthesize drugs for the treatment of type 2 diabetes.
공급사100 곳
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
南通昊春生物科技有限公司
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