3,5-Dimethylphenylboronic acid

HCID 2734349

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 172975-69-8
표준 SMILES: Cc1cc(C)cc(B(O)O)c1
InChIKey: DJGHSJBYKIQHIK-UHFFFAOYSA-N
분자식: C8H11BO2
평균 분자량: 149.98 g/mol
단동위원소 질량: 150.08520999

이름 및 식별자

우선 이름: 3,5-Dimethylphenylboronic acid
IUPAC: (3,5-dimethylphenyl)boronic acid
영어명: 3,5-Dimethylphenylboronic acid
분자식: C8H11BO2
분자량: 149.98

이름 및 동의어

3,5-Dimethylphenylboronic acid172975-69-8(3,5-dimethylphenyl)boronic AcidDTXSID50370240RefChem:487041DTXCID90321276605-655-13,5-Dimethylbenzeneboronic AcidMFCD00185689m-Xylene-5-boronic Acid3,5-Dimethylphenylboronicacid3, 5-dimethylphenyl boronic acid

이름 더 보기

TIMTEC-BB SBB004076RARECHEM AH PB 01863,5-Dimethyl benzene3,5-Dimethylphenylbo3,5 Dimethyl Boronic Acid3,5-dimethylphenylboronic v3,5-Dimethylphenylboronicaci

3,5-dimethyl phenyl boronic acidBoronic acid, B-(3,5-dimethylphenyl)-AC-24810(3,5-Dimethylphenyl)Boranediol3,5-Dimethylphenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3,5-dimethylphenyl)-AKOS BRN-00673,5-dimethylphenyl boronic acid

데이터베이스 식별자

CAS: 172975-69-8
PubChem CID: 2734349
DTXSID: DTXSID50370240
EC Number: 605-655-1
Nikkaji: J806.558F

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 117

물리화학적 성질

녹는점: 261 · 261-265 °C (lit.)
끓는 점: 312.7 · 312.7±52.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 약간 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.72 · 8.72±0.10(Predicted)
색상: White to Orange to Green
BRN: 7368658 · 7368658
InChI: InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3
InChIKey: DJGHSJBYKIQHIK-UHFFFAOYSA-N
SMILES: B(C1=CC(C)=CC(C)=C1)(O)O

화학적 성질

off-white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (22.2%): 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (22.2%)

안전 데이터

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

화학 및 산업

응용 분야

용도3,5-Dimethylphenylboronic Acid is a useful research intermediate for organic synthesis

상·하류 제품 정보

상류 원료

하류 제품

1-Iodo-3,5-dimethylbenzene 3,3',5,5'-테트라메틸비페닐 3,5-비스(메톡시카르보닐)페닐보론산 2-클로로-4-(3,5-디메틸페닐)벤조산

공급사100 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]

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