4-tert-Butylphenylboronic acid

HCID 2734320CAS 123324-71-0

기본 정보

표준 SMILES: CC(C)(C)c1ccc(B(O)O)cc1
InChIKey: MNJYZNVROSZZQC-UHFFFAOYSA-N
분자식: C10H15BO2
평균 분자량: 178.04 g/mol
단동위원소 질량: 178.11651012

이름 및 식별자

우선 이름: 4-tert-Butylphenylboronic acid
IUPAC: (4-tert-butylphenyl)boronic acid
영어명: 4-tert-Butylphenylboronic acid
분자식: C10H15BO2
분자량: 178.04

이름 및 동의어

4-tert-Butylphenylboronic acid123324-71-0(4-tert-butylphenyl)boronic AcidDTXSID60370211RefChem:526897DTXCID00321247602-928-7(4-(tert-Butyl)phenyl)boronic acid4-tert-Butylbenzeneboronic Acid4-t-butylphenylboronic acidMFCD01009697Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]-

이름 더 보기

AKOS BRN-0058CAS:123324-71-0RARECHEM AH PB 01124-tert-ButylphenylboP-tert-butylbenzeneboronicP-T-BUTYLPHENYLBORONIC ACID4-t-Butylbenzeneboronic acid4-tert-Butylphenylboronicaci

4-t-butylphenyl boronic acid4-t-butyl-phenyl boronic acid4-tert-butyl-benzeneboronic acid4-(tert butyl)-phenyl boronic acidSY001215EN300-492174-tert-Butylphenyl boronic acid4-(tert-butyl)phenylboronic acid

데이터베이스 식별자

CAS: 123324-71-0
PubChem CID: 2734320
DTXSID: DTXSID60370211
EC Number: 602-928-7
Nikkaji: J732.736F

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 191 · 191-196 °C (lit.)
끓는 점: 296.7 · 296.7±33.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.79 · 8.79±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
BRN: 5330959 · 5330959
InChI: InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3
InChIKey: MNJYZNVROSZZQC-UHFFFAOYSA-N
SMILES: B(C1=CC=C(C(C)(C)C)C=C1)(O)O

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-22-20/21/22-R36/37/38
hazard_code: Xn,Xi
safety_code: 37/39-26-36-S37/39-S26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

하류 제품

4'-tert-부틸아세토페논 4'-tert-부틸[1,1'-비페닐]-4-카르복실산 1-TERT-BUTYL-4-니트로벤젠 (4-tert-부틸-페닐)-페닐-아민 3-(4-TERT-부틸페닐)-1-프로펜 4-tert-Butyldiphenyl sulfide 4,4'-DI-TERT-BUTYLBIPHENYL 부틸벤질알콜 Ethyl-2,2-difluoro-2-(4-tert-butylphenyl)acetate [1,1'-Biphenyl]-2-carboxylic acid, 4'-(1,1-dimethylethyl)-, methyl ester 5-(4-tert-butylphenyl)furan-2-carboxylic acid

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…