2-Fluoro-5-(trifluoromethyl)phenylboronic acid

HCID 2763301

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 352535-96-7
표준 SMILES: OB(O)c1cc(C(F)(F)F)ccc1F
InChIKey: KUHVVLFCTMTYGR-UHFFFAOYSA-N
분자식: C7H5BF4O2
평균 분자량: 207.92 g/mol
단동위원소 질량: 208.03187268

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)phenylboronic acid
IUPAC: [2-fluoro-5-(trifluoromethyl)phenyl]boronic acid
영어명: 2-Fluoro-5-(trifluoromethyl)phenylboronic acid
분자식: C7H5BF4O2
분자량: 207.92

이름 및 동의어

352535-96-72-Fluoro-5-(trifluoromethyl)phenylboronic acid2-fluoro-5-(trifluoromethyl)benzeneboronic acidDTXSID30376881RefChem:472462DTXCID80327909672-930-0(2-Fluoro-5-(trifluoromethyl)phenyl)boronic acid[2-fluoro-5-(trifluoromethyl)phenyl]boronic AcidMFCD037015382-fluoro-5-trifluoromethylphenylboronic acidBORONIC ACID, [2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-

이름 더 보기

AKOS BRN-0988Fluoro-5-(trifluoroMethyl)phenylboroni2-FLUORO-5-(TRIFLUOROMETHYL)PHENYLBORON&2-fluoro-5-(trifluoromethyl)phenyl]boronicaci2-Fluoro-5-(trifluoromethyl)benzeneboronicacid98%2-Fluoro-5-(trifluoroMethyl)phenylboronic Acid 2-Fluoro-5-(trifluoromethyl)benzeneboronic acid 98%

SY009437F0788EN300-190909[2-fluoro-5-(trifluoromethyl)phenyl]-boronic acid2-fluoro-5-(tr2-fluoro-5-(trifluoromethyl)boronic acidSCHEMBL319539SCHEMBL29525163

데이터베이스 식별자

CAS: 352535-96-7
PubChem CID: 2763301
DTXSID: DTXSID30376881
EC Number: 672-930-0
Nikkaji: J2.752.049I

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: 104 · 104-109 °C(lit.)
끓는 점: 262 ℃ · 262℃
밀도: 1.44 · 1.44
인화점: 113 ℃ · 113℃
저장 조건: Keep Cold
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 7.35 · 7.35±0.58(Predicted)
색상: 하얀색
InChI: 1S/C7H5BF4O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey: KUHVVLFCTMTYGR-UHFFFAOYSA-N
SMILES: OB(O)c1cc(ccc1F)C(F)(F)F

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (22.2%): 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.