3-(Bromomethyl)benzeneboronic acid

HCID 2773281

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51323-43-4
표준 SMILES: OB(O)c1cccc(CBr)c1
InChIKey: ATRFDLFMCLYROQ-UHFFFAOYSA-N
분자식: C7H8BBrO2
평균 분자량: 214.85 g/mol
단동위원소 질량: 213.980072

이름 및 식별자

우선 이름: 3-(Bromomethyl)benzeneboronic acid
IUPAC: [3-(bromomethyl)phenyl]boronic acid
영어명: 3-Bromomethylphenylboronic acid
분자식: C7H8BBrO2
분자량: 214.85

이름 및 동의어

3-(Bromomethyl)phenylboronic acid3-(Bromomethyl)benzeneboronic acidRefChem:494469626-228-63-Bromomethylphenylboronic acid51323-43-4[3-(bromomethyl)phenyl]boronic Acid(3-(bromomethyl)phenyl)boronic acidMFCD016322073-Bromomethyl phenylboronic AcidBoronic acid, [3-(bromomethyl)phenyl]-M-(BROMOMETHYL)PHENYLBORONIC ACID

이름 더 보기

RARECHEM AH PB 00623-boronobenzyl bromide3-Bromomethylphenylboronic3-BROMOMETHYLPHENYLBORONIC ACID 96%Boronic acid,B-[3-(broMoMethyl)phenyl]-3-Boronobenzyl bromide~3-(Bromomethyl)phenylboronic acidBrCH2(C6H4)B(OH)2

3-BromomethylphenylboronicacidSCHEMBL723106DTXSID60378333ATRFDLFMCLYROQ-UHFFFAOYSA-N3-Bromo-methylbenzene boronic acid3-(bromomethyl)phenyl boronic acidSBB070791AKOS005254510

데이터베이스 식별자

CAS: 51323-43-4
PubChem CID: 2773281
DTXSID: DTXSID60378333
EC Number: 626-228-6
Nikkaji: J2.208.687A

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: 11
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 214 · 214-216°C
끓는 점: 359.1 · 359.1±44.0 °C(Predicted)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.11 · 8.11±0.10(Predicted)
색상: 흰색에서 황갈색까지
BRN: 3246618 · 3246618
InChI: 1S/C7H8BBrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5H2
InChIKey: ATRFDLFMCLYROQ-UHFFFAOYSA-N
SMILES: OB(O)c1cccc(CBr)c1

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.