2,3-Dimethylphenylboronic acid

HCID 2773395CAS 183158-34-1

기본 정보

표준 SMILES: Cc1cccc(B(O)O)c1C
InChIKey: ZYYANAWVBDFAHY-UHFFFAOYSA-N
분자식: C8H11BO2
평균 분자량: 149.98 g/mol
단동위원소 질량: 150.08520999

이름 및 식별자

우선 이름: 2,3-Dimethylphenylboronic acid
IUPAC: (2,3-dimethylphenyl)boronic acid
영어명: 2,3-Dimethylphenylboronic acid
분자식: C8H11BO2
분자량: 149.98

이름 및 동의어

2,3-Dimethylphenylboronic acid183158-34-1(2,3-dimethylphenyl)boronic AcidDTXSID40378432RefChem:442552DTXCID90329459679-696-92,3-Dimethylbenzeneboronic AcidBoronic acid, B-(2,3-dimethylphenyl)-MFCD01863524o-Xylene-3-boronic AcidSCHEMBL309076

이름 더 보기

AKOS BRN-0096RARECHEM AH PB 0184DiMethylphenylboronic aci2,3-Dimethylphenylboronic(2,3-dimethylphenyl)boronicaci2,3-Dimethylphenylboronic acid ,98%2,3-DIMETHYLBENZENEBORONIC ACID 98%

dimethyl phenylboronic acid acid2,3-dimethyl-phenylboronic acid2,3-dimethylphenyl boronic acidSCHEMBL294790672,3-dimethylbenzene boronic acid(2,3-dimethyl-phenyl)boronic acidASP-9226SBB052557

데이터베이스 식별자

CAS: 183158-34-1
PubChem CID: 2773395
DTXSID: DTXSID40378432
EC Number: 679-696-9
Nikkaji: J1.365.104C

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: 127

물리화학적 성질

녹는점: 174 · 174-180 °C(lit.)
끓는 점: 312.6 · 312.6±52.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.7 · 8.70±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 8050763 · 8050763
InChI: 1S/C8H11BO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,10-11H,1-2H3
InChIKey: ZYYANAWVBDFAHY-UHFFFAOYSA-N
SMILES: Cc1cccc(B(O)O)c1C

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37-24/25
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,3-Dimethylphenylboronic Acid can be used in the process of preparing thermoset and thermoplastic polyimides derived from novel asym. dianhydrides such as 2,3,3'',4'' benzophenone dianhydride (a-BTDA), and 3,4''-(hexafluoroisopropylidene)diphthalic anhydride (a-6FDA).