3-Chloro-4-(methoxycarbonyl)benzeneboronic acid

HCID 23005335CAS 603122-82-3

기본 정보

표준 SMILES: COC(=O)c1ccc(B(O)O)cc1Cl
InChIKey: DJOMWLVGTUQULT-UHFFFAOYSA-N
분자식: C8H8BClO4
평균 분자량: 214.41 g/mol
단동위원소 질량: 214.02041682

이름 및 식별자

우선 이름: 3-Chloro-4-(methoxycarbonyl)benzeneboronic acid
IUPAC: (3-chloro-4-methoxycarbonylphenyl)boronic acid
영어명: (3-Chloro-4-methoxycarbonyl)benzeneboronic acid
분자식: C8H8BClO4
분자량: 214.41

이름 및 동의어

3-Chloro-4-(methoxycarbonyl)benzeneboronic acid3-Chloro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)RefChem:499916833-801-6959-034-8603122-82-3(3-Chloro-4-(methoxycarbonyl)phenyl)boronic acid3-chloro-4-(methoxycarbonyl)phenylboronic acid3-CHLORO-4-METHOXYCARBONYLPHENYLBORONIC ACID(3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACIDMFCD06659874(3-chloro-4-methoxycarbonylphenyl)boronic acid

이름 더 보기

METHYL 4-BAKOS BRN-0545oro-4-(methoxycarbonyLMETHYL 4-BORONO-2-CHLOROBENZOATE(4-(Methoxycarbonyl)-3-chlorophenyl)boronic acid3-Chloro-4-(methoxycarbonyl)benzeneboronic acid 97%(3-Chloro-4-(methoxycarbonyl)phenyl)boronic acid, 99.8%

[3-chloro-4-(methoxycarbonyl)phenyl]boronic acidBenzoic acid, 4-borono-2-chloro-, 1-methyl ester3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACIDSCHEMBL364081SCHEMBL29950902DTXSID90629623DJOMWLVGTUQULT-UHFFFAOYSA-NAKOS004119208

데이터베이스 식별자

CAS: 603122-82-3
PubChem CID: 23005335
DTXSID: DTXSID90629623
EC Number: 833-801-6

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 174 · 174-178
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.