3-(Trifluoromethyl)phenylboronic acid

HCID 2734388

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1423-26-3
표준 SMILES: OB(O)c1cccc(C(F)(F)F)c1
InChIKey: WOAORAPRPVIATR-UHFFFAOYSA-N
분자식: C7H6BF3O2
평균 분자량: 189.93 g/mol
단동위원소 질량: 190.04129449

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)phenylboronic acid
IUPAC: [3-(trifluoromethyl)phenyl]boronic acid
영어명: 3-(Trifluoromethyl)phenylboronic acid
분자식: C7H6BF3O2
분자량: 189.93

이름 및 동의어

3-(Trifluoromethyl)phenylboronic acid1423-26-3DTXSID20370277RefChem:505492DTXCID503213133-Trifluoromethylphenylboronic acid[3-(trifluoromethyl)phenyl]boronic Acid(3-(Trifluoromethyl)phenyl)boronic acid3-(Trifluoromethyl)benzeneboronic acidMFCD00151854m-(trifluoromethyl)phenylboronic acid3-trifluoromethylboronic acid

이름 더 보기

AKOS BRN-0023RARECHEM AH PB 00963-(Trifluoromethyl)pm-Trufluoromethylboronic Acid3-(TRIFLUOROMETHYL)PHENYLBORIC ACID3-(Trifluoromethyl)phenylboronicaci3-(TRIFLUOROMETHYL)PHENYLBORNIC ACID3-Trifluoromethylphenyk Boronic Acid

Boronic acid, B-[3-(trifluoromethyl)phenyl]-(3-trifluoromethylphenyl)boronic acidCHEMBL336239m-(Trifluoromethyl)benzeneboronic acid3-trifluoro methyl benzene boronic acid(3-trifluoromethyl-phenyl)-boronic acidSY0147823-Boronobenzotrifluoride

데이터베이스 식별자

CAS: 1423-26-3
PubChem CID: 2734388
DTXSID: DTXSID20370277
ChEMBL: CHEMBL336239
EC Number: 604-284-2
Nikkaji: J909.874G

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 163 · 163-166 °C (lit.)
끓는 점: 268.2 · 268.2±50.0 °C(Predicted)
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: slightly sol. in Methanol
물리적 상태: 가루
산도 계수 (pKa): 7.55 · 7.55±0.10(Predicted)
색상: 흰색에서 연한 노란색
BRN: 6084746 · 6084746
InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
InChIKey: WOAORAPRPVIATR-UHFFFAOYSA-N
SMILES: C1(B(O)O)=CC=CC(C(F)(F)F)=C1

화학적 성질

White to pale yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.4%): 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 39 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
F 고인화성물질: 10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

하류 제품

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

화합물 노트

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