4-(Difluoromethoxy)benzeneboronic acid

HCID 23082146

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 688810-12-0
표준 SMILES: OB(O)c1ccc(OC(F)F)cc1
InChIKey: MFZNJRNTHPKCFY-UHFFFAOYSA-N
분자식: C7H7BF2O3
평균 분자량: 187.94 g/mol
단동위원소 질량: 188.04563092

이름 및 식별자

우선 이름: 4-(Difluoromethoxy)benzeneboronic acid
IUPAC: [4-(difluoromethoxy)phenyl]boronic acid
영어명: Boronic acid, [4-(difluoromethoxy)phenyl]- (9CI)
분자식: C7H7BF2O3
분자량: 187.94

이름 및 동의어

4-(difluoromethoxy)benzeneboronic acidRefChem:515838807-139-3688810-12-0(4-(Difluoromethoxy)phenyl)boronic acid4-(DIFLUOROMETHOXY)PHENYLBORONIC ACID[4-(difluoromethoxy)phenyl]boronic acidMFCD09864667Boronic acid, [4-(difluoromethoxy)phenyl]-SCHEMBL157627DTXSID306303944-difluoromethoxybenzeneboronic acid

이름 더 보기

Boronic acid, B-[4-(difluorom4-Borono-alpha,alpha-difluoroanisole(4-(Difluoromethoxy)phenyl)boronicaci4-(Difluoromethoxy)-phenylboronic acidB-[4-(Difluoromethoxy)phenyl]boronic acidBoronic acid, B-[4-(difluoromethoxy)phenyl]-Boronic acid, [4-(difluoromethoxy)phenyl]- (9CI)Boronic acid, B-[4-(difluoromethoxy)phenyl]-, 95%min4-(Difluoromethoxy)-phenylboronic acid contain 0.5% water

4-Difluoromethoxy-phenylboronic acid4-difluoromethoxybenzene boronic acidSBB070750XH0383(4-Difluoromethoxyphenyl)boronic acid4-(difluoromethoxy)phenyl boronic acidAKOS015852967FD84580

데이터베이스 식별자

CAS: 688810-12-0
PubChem CID: 23082146
DTXSID: DTXSID30630394
EC Number: 807-139-3

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 299.8 · 299.8±50.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 8.41 · 8.41±0.16(Predicted)
물리적 상태: lumpy powder
색상: 하얀색
InChI: InChI=1S/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
InChIKey: MFZNJRNTHPKCFY-UHFFFAOYSA-N
SMILES: B(C1=CC=C(OC(F)F)C=C1)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.