3,5-Bis-trifluoromethylphenylboronic acid

HCID 156265CAS 73852-19-4

기본 정보

표준 SMILES: OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: BPTABBGLHGBJQR-UHFFFAOYSA-N
분자식: C8H5BF6O2
평균 분자량: 257.93 g/mol
단동위원소 질량: 258.02867912

이름 및 식별자

우선 이름: 3,5-Bis-trifluoromethylphenylboronic acid
IUPAC: [3,5-bis(trifluoromethyl)phenyl]boronic acid
영어명: 3,5-Bis(trifluoromethyl)benzeneboronic acid
분자식: C8H5BF6O2
분자량: 257.93

이름 및 동의어

73852-19-4(3,5-Bis(trifluoromethyl)phenyl)boronic acid[3,5-bis(trifluoromethyl)phenyl]boronic acidBtfpba3,5-Bis-trifluoromethylphenylboronic acidDTXSID00224421RefChem:91393DTXCID00146912642-864-73,5-Bis(trifluoromethyl)phenylboronic acid3,5-Bis(trifluoromethyl)benzeneboronic AcidMFCD00051850

이름 더 보기

AKOS BRN-0072RARECHEM AH PB 00293,5-BIS(TRIFLUOROMETHYL)PHENYLBORONIC3,5-Bis(trifluoroMethyl)benzeneboronic5-Bis(trifluoroMethyl)phenylboronic acid3,5-Bis(trifloroMethyl)phenylboronic acid3,5--TrifluoroMethyl benzene boronic acid

3,5-DI(TRIFLUOROMETHYL)PHENYLBORONIC ACIDBoronic acid, [3,5-bis(trifluoromethyl)phenyl]-3,5-DI(TRIFLUOROMETHYL)BENZENEBORONIC ACIDAB021483,5-di(trifluoromethyl)-phenylboronic acid3,5-bis-trifluoromethyl-phenyl boronic acid3,5-BIS(TRIFLUOROMETHYL)PHENYLBOROIC ACIDBoronic acid, (3,5-bis(trifluoromethyl)phenyl)-

데이터베이스 식별자

CAS: 73852-19-4
PubChem CID: 156265
DTXSID: DTXSID00224421
ChEMBL: CHEMBL280087
EC Number: 642-864-7
Nikkaji: J381.360F

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 217 · 217-220 °C (lit.)
끓는 점: 248.1 · 248.1±50.0 °C(Predicted)
밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정 또는 분말
산도 계수 (pKa): 6.57 · 6.57±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 7379990 · 7379990
InChI: InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H
InChIKey: BPTABBGLHGBJQR-UHFFFAOYSA-N
SMILES: B(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(O)O

화학적 성질

Off-white Cryst

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 11 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

하류 제품

3,5-Bis(trifluoromethyl)phenol

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

연결된 노트

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