3-Fluoro-4-methylbenzeneboronic acid

HCID 2782674

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 168267-99-0
표준 SMILES: Cc1ccc(B(O)O)cc1F
InChIKey: WPVBHUUZDFUIJA-UHFFFAOYSA-N
분자식: C7H8BFO2
평균 분자량: 153.95 g/mol
단동위원소 질량: 154.06013812

이름 및 식별자

우선 이름: 3-Fluoro-4-methylbenzeneboronic acid
IUPAC: (3-fluoro-4-methylphenyl)boronic acid
영어명: 3-Fluoro-4-methylphenylboronic acid
분자식: C7H8BFO2
분자량: 153.95

이름 및 동의어

3-Fluoro-4-methylbenzeneboronic AcidRefChem:501788677-535-73-Fluoro-4-methylphenylboronic acid168267-99-0(3-fluoro-4-methylphenyl)boronic acidMFCD02683115Boronic acid, B-(3-fluoro-4-methylphenyl)-CHEMBL18241683-Fluoro-p-tolylboronic acid(3-fluoro-4-methyl-phenyl)boronic AcidBoronic acid, (3-fluoro-4-methylphenyl)-

이름 더 보기

AKOS BRN-0218CHEMBRDG-BB 40033013-Fluoro-4-Methylphenylboronic3-Fluoro-4-methylphenylboronicaci3-Fluoro-4-methlbenzeneboronicacid3-Fluoro-4-methbenzene boronic acidB-(3-fluoro-4-Methylphenyl)-Boronicacid

3-Fluoro-4-methylbenzeneboronicacidSCHEMBL177645SCHEMBL3840348DTXSID303822054-methyl-3-fluorophenylboronic acid(3-fluoro-4-methylphenyl)boranediolBDBM50615760EBC-13309

데이터베이스 식별자

CAS: 168267-99-0
PubChem CID: 2782674
DTXSID: DTXSID30382205
ChEMBL: CHEMBL1824168
EC Number: 677-535-7
Nikkaji: J1.334.922C

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 232 · 232-237 °C (lit.)
끓는 점: 278.7 · 278.7±50.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.76 · 7.76±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 8544594 · 8544594
InChI: 1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChIKey: WPVBHUUZDFUIJA-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1F)B(O)O

화학적 성질

Off-white Cryst

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45-37
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Fluoro-4-methylphenylboronic acid is an inhibitor of bacterial quorum sensing in Vibrio harveyi.

상·하류 제품 정보

상류 원료

하류 제품

[1,1'-Biphenyl]-2-carboxylic acid, 3'-fluoro-4'-methyl-, methyl ester

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

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