3-FLUORO-5-(트리플루오로메틸)벤젠보론산

3-Fluoro-5-(trifluoromethyl)benzeneboronic acid

HCID 2783192CAS 159020-59-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OB(O)c1cc(F)cc(C(F)(F)F)c1
InChIKey: WEMCWZGCSRGJGW-UHFFFAOYSA-N
분자식: C7H5BF4O2
평균 분자량: 207.92 g/mol
단동위원소 질량: 208.03187268

이름 및 식별자

우선 이름: 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid
IUPAC: [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
현지명: 3-FLUORO-5-(트리플루오로메틸)벤젠보론산
영어명: 3-Fluoro-5-(trifluoromethyl)benzene boronic acid
분자식: C7H5BF4O2
분자량: 207.92

이름 및 동의어

3-FLUORO-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACIDRefChem:501834640-289-6159020-59-4(3-Fluoro-5-(trifluoromethyl)phenyl)boronic acid3-Fluoro-5-(trifluoromethyl)phenylboronic acid[3-fluoro-5-(trifluoromethyl)phenyl]boronic Acid3-FLUORO-5-TRIFLUOROMETHYLPHENYLBORONIC ACIDMFCD066577353-(Trifluoromethyl)-5-fluorophenylboronic acidSCHEMBL491507Boronic acid, B-[3-fluoro-5-(trifluoromethyl)phenyl]-

이름 더 보기

3-FLUORO-5-(트리플루오로메틸)벤젠보론산5-Fluoro-3-trifluoromethylbenzeneboronic acid3-Fluoro-5-(trifluoromethyl)benzeneboronic acid 99%[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid(SALTDATA: FREE)3-Fluoro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)

DTXSID00382499AKOS006222093AB256653-Borono-5-fluorobenzotrifluoride3-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]BORONIC ACID(3-Fluoro-5-Trifluoromethylphenyl)Boronic Acid3-(Trifluoromethyl)-5-fluoro-phenylboronic acidSBB071060

데이터베이스 식별자

CAS: 159020-59-4
PubChem CID: 2783192
DTXSID: DTXSID00382499
EC Number: 640-289-6

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: 168 °C · 168°C(lit.)
끓는 점: 264 · 264.0±50.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 가루
산도 계수 (pKa): 6.52 · 6.52±0.10(Predicted)
색상: 흰색에서 크림색으로

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