CAS 162607-18-3 5-Chlorothiophene-2-boronic acid (HCID 2734324)

기본 정보

CAS: 162607-18-3
표준 SMILES: OB(O)c1ccc(Cl)s1
InChIKey: JFCLNCVCDFUJPO-UHFFFAOYSA-N
분자식: C4H4BClO2S
평균 분자량: 162.41 g/mol
단동위원소 질량: 161.97135845

이름 및 식별자

우선 이름: 5-Chlorothiophene-2-boronic acid
IUPAC: (5-chlorothiophen-2-yl)boronic acid
영어명: 5-Chlorothiophene-2-boronic acid
분자식: C4H4BClO2S
분자량: 162.4

이름 및 동의어

5-Chlorothiophene-2-boronic acid162607-18-3DTXSID00370215RefChem:535025DTXCID90321251672-311-5(5-chlorothiophen-2-yl)boronic Acid5-Chloro-2-thienylboronic acid5-Chloro-2-thiopheneboronic AcidMFCD00236030(5-chloro-2-thienyl)boronic acidBoronic acid, (5-chloro-2-thienyl)-

이름 더 보기

MR01020501CAS:162607-18-3TIMTEC-BB SBB003942RARECHEM AH PB 01605-Chlorothiophene-2-Boronic5-Chlorothiophene-2-boronicaci5-chlorothiophene-2-borate acid

5-chlorothiophen-2-boronic acid5-chlorothiophen-2-ylboronic acidCHEMBL1425925-chlorothiophen-2-yl boronic acidNCGC00092005-01AC-16385SY0155755-chloro-2-thiophenylbo

데이터베이스 식별자

CAS: 162607-18-3
PubChem CID: 2734324
DTXSID: DTXSID00370215
ChEMBL: CHEMBL142592
EC Number: 672-311-5
Nikkaji: J1.059.508H

물성

구조 계산 물성

극성 표면적: 68.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

녹는점: 136 · 136-140 °C(lit.)
끓는 점: 320.9 · 320.9±52.0 °C(Predicted)
밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.28 · 8.28±0.53(Predicted)
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
BRN: 8478804 · 8478804
InChI: 1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChIKey: JFCLNCVCDFUJPO-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(Cl)s1

화학적 성질

Off-white or beige to pale green or brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (10%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.