기본 정보
- CAS
190903-71-0- 표준 SMILES
OB(O)c1ccc2c(c1)OC(F)(F)O2- InChIKey
OTTIPUIRDXSIBG-UHFFFAOYSA-N- 분자식
- C7H5BF2O4
- 평균 분자량
- 201.92 g/mol
- 단동위원소 질량
- 202.02489548
이름 및 식별자
- 우선 이름
- (2,2-Difluoro-1,3-dioxaindan-5-yl)boronic acid
- IUPAC
- (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
- 현지명
- 2,2-디플루오로-벤조[1,3]디옥솔-5-붕소산
- 영어명
- 2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid
- 분자식
- C7H5BF2O4
- 분자량
- 201.92
이름 및 동의어
(2,2-Difluoro-1,3-dioxaindan-5-yl)boronic acidRefChem:394356606-223-5190903-71-02,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)boronic acid(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid2,2-Difluoro-1,3-benzodioxole-5-boronic acidMFCD087062362,2-difluorobenzo[d][1,3]dioxol-5-ylboronic acidBoronic acid, (2,2-difluoro-1,3-benzodioxol-5-yl)-
이름 더 보기
2,2-디플루오로-벤조[1,3]디옥솔-5-붕소산2,2-Difluoro-benzo[1,3]dioxole-5-boronic2,2-difluoro-1,3-benzodioxol-5-yl boronic acidBoronic acid,B-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-Difluoro-1,3-benzodioxole-5-boronic acid - [D7649](2,2-Difluorobenzo[D][1,3]dioxacyclopenten-5-yl)boronic acid(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid(contains varying amounts of Anhydride)
Boronic acid, B-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-Difluoro-1,3-benzodioxol-5-ylboronic acid2.2-difluoro-1,3-benzodioxol-5-ylboronic acid2,2-DifluSCHEMBL200679DTXSID50590183ALBB-028881AKOS005146030
데이터베이스 식별자
- CAS
190903-71-0- PubChem CID
- 17750030
- DTXSID
DTXSID50590183- EC Number
- 606-223-5
물성
구조 계산 물성
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 226
물리화학적 성질
- 끓는 점
- 288 · 288.0±50.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 산도 계수 (pKa)
- 8.25 · 8.25±0.40(Predicted)
- 물리적 상태
- solid
- InChI
- InChI=1S/C7H5BF2O4/c9-7(10)13-5-2-1-4(8(11)12)3-6(5)14-7/h1-3,11-12H
- InChIKey
- OTTIPUIRDXSIBG-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C2OC(F)(F)OC2=C1)(O)O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2932990090
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid is an organic boron compound that can be used as a synthetic pharmaceutical intermediate for small-molecule active inhibitors.
상·하류 제품 정보
상류 원료
공급사67 곳
上海康恩博医药科技有限公司17510465506 · [email protected]
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合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
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Anhui Xunrui Chemical Co., Ltd+86-18130097396 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
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句容偶联生物科技有限公司19231718652 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
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