기본 정보
- CAS
874219-45-1- 표준 SMILES
COC(=O)c1cc(B(O)O)ccc1Cl- InChIKey
YEPWHDGFBVDINZ-UHFFFAOYSA-N- 분자식
- C8H8BClO4
- 평균 분자량
- 214.41 g/mol
- 단동위원소 질량
- 214.0204166
이름 및 식별자
- 우선 이름
- 4-Chloro-3-(methoxycarbonyl)benzeneboronic acid
- IUPAC
- (4-chloro-3-methoxycarbonylphenyl)boronic acid
- 현지명
- 4-클로로-3-(메톡시카보닐)페닐보론산
- 영어명
- 4-CHLORO-3-(METHOXYCARBONYL)PHENYLBORONIC ACID
- 분자식
- C8H8BClO4
- 분자량
- 214.41
이름 및 동의어
4-Chloro-3-(methoxycarbonyl)benzeneboronic acidRefChem:521243801-531-84-CHLORO-3-(METHOXYCARBONYL)PHENYLBORONIC ACID874219-45-1(4-chloro-3-(methoxycarbonyl)phenyl)boronic acidMFCD06801690(4-chloro-3-methoxycarbonylphenyl)boronic acid4-chloro-3-methoxycarbonylphenylboronic acid[4-chloro-3-(methoxycarbonyl)phenyl]boronic acidAKOS004119207CS-W005484
이름 더 보기
4-클로로-3-(메톡시카보닐)페닐보론산AKOS BRN-0543METHYL 5-BORONO-2-CHLOROBENZOATE4-chloro-3-(methoxy)phenylboric acid5-Borono-2-Chloro-Benzoic Acid 1-Methyl EsterBenzoicacid, 5-borono-2-chloro-, 1-methyl ester4-Chloro-3-(methoxycarbonyl)benzeneboronic acid 98%
AB30087C3320EN300-73839874-Chloro-3-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)(4-Chloro-3-methoxycarbonyl-phenyl)boronic acid(4-chloro-3-methA842162SCHEMBL660617
데이터베이스 식별자
- CAS
874219-45-1- PubChem CID
- 23005334
- DTXSID
DTXSID30629622- EC Number
- 801-531-8
물성
구조 계산 물성
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 212
물리화학적 성질
- 녹는점
- 136 · 136-138
- 끓는 점
- 384.2 · 384.2±52.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.55 · 7.55±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2931900090
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- 위험 참고 사항
- Irritant/Keep Cold
화학 및 산업
공급사79 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
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