2,6-Dimethylphenylboronic acid

HCID 583322CAS 100379-00-8

기본 정보

표준 SMILES: Cc1cccc(C)c1B(O)O
InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N
분자식: C8H11BO2
평균 분자량: 149.98 g/mol
단동위원소 질량: 150.08520999

이름 및 식별자

우선 이름: 2,6-Dimethylphenylboronic acid
IUPAC: (2,6-dimethylphenyl)boronic acid
영어명: 2,6-Dimethylphenylboronic acid
분자식: C8H11BO2
분자량: 149.98

이름 및 동의어

2,6-Dimethylphenylboronic acid100379-00-82,6-Dimethylbenzeneboronic AcidDTXSID60342610RefChem:445741DTXCID80293690600-084-4(2,6-dimethylphenyl)boronic acidMFCD01009693Boronic acid, B-(2,6-dimethylphenyl)-Boronic acid, (2,6-dimethylphenyl)-(2,6-Dimethlphenyl)borate

이름 더 보기

AKOS BRN-02232-Borono-m-xyleneRARECHEM AH PB 01952,6-Dimethylphenylbo2,6-Xylylboronic acid2,6-Xyleneboronic acid2,6-Dimethylboronic acidIndole-52-carboxaldehyde

2,6-dimethyl phenylboronic acid2,6-Dimethyl-phenylboronic AcidAKOS000278423HY-W002725GS-6707AC-247902,6-Dimethylphenylboronic acid, >=95.0%m-Xylene-2-boronic Acid

데이터베이스 식별자

CAS: 100379-00-8
PubChem CID: 583322
DTXSID: DTXSID60342610
ChEMBL: CHEMBL3236888
EC Number: 600-084-4
Nikkaji: J1.072.041I

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: 105 °C · 105 °C (dec.) (lit.)
끓는 점: 299.9 · 299.9±50.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 8.68 · 8.68±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N

화학적 성질

white crystalline powder

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