(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)

HCID 23005362CAS 89488-25-5

기본 정보

표준 SMILES: OB(O)c1cc(Cl)ccc1O
InChIKey: GGZASRFCRAZNPO-UHFFFAOYSA-N
분자식: C6H6BClO3
평균 분자량: 172.37 g/mol
단동위원소 질량: 172.00985213

이름 및 식별자

우선 이름: (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)
IUPAC: (5-chloro-2-hydroxyphenyl)boronic acid
영어명: 5-CHLORO-2-HYDROXYPHENYLBORONIC ACID
분자식: C6H6BClO3
분자량: 172.37

이름 및 동의어

(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)RefChem:403926639-351-55-CHLORO-2-HYDROXYPHENYLBORONIC ACID89488-25-5(5-Chloro-2-hydroxyphenyl)boronic acid5-Chloro-2-hydroxybenzeneboronic acidMFCD066598635-CHLORO-2-HYDROXYPHENYLBORONICACIDDTXSID20629636AKOS004113800AB26500

이름 더 보기

AKOS BRN-07422-Borono-4-chlorophenol5-CHLORO-2-HYDROXYPHENYLBORONICoro-2-hydroxybenzeneboronic acid2-Hydroxy-5-chlorophenylboronic acid5-Chloro-2-hydroxybenzeneboronicacid97%Benzeneboronic acid, 5-chloro-2-hydroxy-B-(5-Chloro-2-hydroxyphenyl)boronic acid

PS-9506(5-Chloro-2-hydroxyphenyl) boronic acidCS-0008642EN300-2574655-Chloro-2-hydroxyphenylboronic acid, AldrichCPRBoronic acid, (5-chloro-2-hydroxyphenyl)-5-Chloro-2-Hydroxyphenyl-Boronic AcidSCHEMBL320185

데이터베이스 식별자

CAS: 89488-25-5
PubChem CID: 23005362
DTXSID: DTXSID20629636
EC Number: 639-351-5
Nikkaji: J3.298.132A

물성

구조 계산 물성

극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 166 · 166-170
끓는 점: 369.3 · 369.3±52.0 °C(Predicted)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): 7.63 · 7.63±0.58(Predicted)
색상: 하얀색
InChI: InChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChIKey: GGZASRFCRAZNPO-UHFFFAOYSA-N
SMILES: B(C1=CC(Cl)=CC=C1O)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.