4-(Trifluoromethyl)phenylboronic acid (HCID 2734389)

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)phenylboronic acid
IUPAC: [4-(trifluoromethyl)phenyl]boronic acid
영어명: 4-Trifluoromethylphenylboronic acid
분자식: C7H6BF3O2
분자량: 189.93

이름 및 동의어

128796-39-44-(Trifluoromethyl)phenylboronic acidDTXSID80370278RefChem:97590DTXCID10321314603-301-04-trifluoromethylphenylboronic acid(4-(trifluoromethyl)phenyl)boronic acid[4-(Trifluoromethyl)phenyl]boronic acid4-(Trifluoromethyl)benzeneboronic acidMFCD00151855BORONIC ACID, B-[4-(TRIFLUOROMETHYL)PHENYL]-

이름 더 보기

4-Trifluoromethylboronic acidAKOS BRN-004917-DipropionateRARECHEM AH PB 009517-Beta-Estradiol-34-Trifluoromethylphe4-trifluoromethylborate4-Boronobenzotrifluoride

(4-Trifluoromethylphenyl)boronic acidSCHEMBL4179CHEMBL143654alpha,alpha,alpha-Trifluoro-p-tolylboronic acid4-trifluormethylphenylboronic acid4-trifluoromethylbenzeneboronic acid4-(trifluoromethylphenyl)boronic acid(4-trifluoromethyl-phenyl)boronic acid

데이터베이스 식별자

CAS: 128796-39-4
PubChem CID: 2734389
DTXSID: DTXSID80370278
ChEMBL: CHEMBL143654
EC Number: 603-301-0
Nikkaji: J654.692G

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: 164

물리화학적 성질

녹는점: 245 · 245-250 °C(lit.)
끓는 점: 258.6 · 258.6±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: 메탄올에 용해됨
산도 계수 (pKa): 7.82 · 7.82±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물에는 용해되지 않고 DMSO에는 용해됨
BRN: 3544189 · 3544189
InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChIKey: ALMFIOZYDASRRC-UHFFFAOYSA-N
SMILES: B(C1=CC=C(C(F)(F)F)C=C1)(O)O

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (80.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (23.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (19.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (80.8%)；Skin Irrit. 2 (23.1%)；Eye Irrit. 2A (23.1%)；STOT SE 3 (19.2%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 37/39-26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

Boronic acid, B-[4-(trifluoromethyl)phenyl]-, dimethyl ester NISTC6562410 메틸2-하이드록시-3-메틸벤조에이트 Dicyclohexylamine borane 95%보란-디이소프로필아민 p-클로로벤조트리플루오라이드 보릭산트리이소프로필에스테르 4-브로모벤조트리플루오르화물 붕산트리에틸 붕산트리메틸 4-아미노벤조트리플로라이드 4-다이메틸아미노피리딘

하류 제품

1,4-비스(트리플루오로메틸)벤젠 4-(트리플루오로메틸)디페닐에테르 4-(트리플루오로메틸)-알파,알파,알파-트리플루오로아세토페논 플루오르벤조트리폴로라이드 Eg5 Inhibitor VII

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

불러오는 중…

4-(Trifluoromethyl)phenylboronic acid

기본 정보