2-Fluoro-3-(trifluoromethyl)benzeneboronic acid

HCID 16217169

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 157834-21-4
표준 SMILES: OB(O)c1cccc(C(F)(F)F)c1F
InChIKey: PKARAEQMGHJHMY-UHFFFAOYSA-N
분자식: C7H5BF4O2
평균 분자량: 207.92 g/mol
단동위원소 질량: 208.03187268

이름 및 식별자

우선 이름: 2-Fluoro-3-(trifluoromethyl)benzeneboronic acid
IUPAC: [2-fluoro-3-(trifluoromethyl)phenyl]boronic acid
영어명: 2-Fluoro-3-(trifluoromethyl)phenylboron&
분자식: C7H5BF4O2
분자량: 207.92

이름 및 동의어

2-Fluoro-3-(trifluoromethyl)benzeneboronic acidRefChem:472224688-396-7157834-21-42-Fluoro-3-(trifluoromethyl)phenylboronic acid[2-fluoro-3-(trifluoromethyl)phenyl]boronic acid2-FLUORO-3-TRIFLUOROMETHYLPHENYLBORONIC ACID(2-fluoro-3-(trifluoromethyl)phenyl)boronic acidMFCD07784336Boronic acid, B-[2-fluoro-3-(trifluoromethyl)phenyl]-2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORON&Boronic acid, [2-fluoro-3-(trifluoromethyl)phenyl]-

이름 더 보기

2-Fluoro-32-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORON&2-Fluoro-3-(trifluoromethyl)benzeneboronic acid2-Fluoro-3-(trifluoromethyl)benzeneboronicacid97%2-Fluoro-3-(trifluoromethyl)phenylboronic acid 95%2-Fluoro-3-(trifluoromethyl)benzeneboronic acid 97%2-METHOXY-3-TRIFLUOROMETHYL-BENZENEBORONIC ACID, 96+%2-Fluoro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)

2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORONICACIDSCHEMBL1198104SCHEMBL29525986DTXSID30584267SBB071211AKOS015854271CS-W015248DS-2101

데이터베이스 식별자

CAS: 157834-21-4
PubChem CID: 16217169
DTXSID: DTXSID30584267
EC Number: 688-396-7

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 197

물리화학적 성질

녹는점: 56 · 56-58 °C(lit.)
끓는 점: 276.5 · 276.5±50.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.35 · 7.35±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 물에 약간 용해됩니다.
InChI: 1S/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
InChIKey: PKARAEQMGHJHMY-UHFFFAOYSA-N
SMILES: OB(O)c1cccc(c1F)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.