4-(Ethylsulphonyl)benzeneboronic acid

HCID 2773420

노트 반응

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기본 정보

CAS: 352530-24-6
표준 SMILES: CCS(=O)(=O)c1ccc(B(O)O)cc1
InChIKey: CVBNDDGEVPNUNA-UHFFFAOYSA-N
분자식: C8H11BO4S
평균 분자량: 214.05 g/mol
단동위원소 질량: 214.04711023

이름 및 식별자

우선 이름: 4-(Ethylsulphonyl)benzeneboronic acid
IUPAC: (4-ethylsulfonylphenyl)boronic acid
영어명: 4-(ETHYLSULFONYL)PHENYLBORONIC ACID
분자식: C8H11BO4S
분자량: 214.05

이름 및 동의어

4-(Ethylsulphonyl)benzeneboronic acidRefChem:516089681-991-2352530-24-64-(Ethylsulfonyl)phenylboronic acid(4-(Ethylsulfonyl)phenyl)boronic acid(4-ethylsulfonylphenyl)boronic Acid4-Ethylsulfonylphenylboronic acid4-(ethanesulfonyl)phenylboronic acid4-(Ethanesulfonyl)benzeneboronic acidMFCD02093076[4-(ethylsulfonyl)phenyl]boronic acid

이름 더 보기

AKOS BRN-03054-Boronophenyl ethyl sulphone4-(ETHYLSULPHONYL)PHENYLBORONIC ACID4-(ETHYLSULFONYL)BENZENEBORONIC ACID4-(ETHANESULPHONYL)BENZENEBORONIC ACIDBoronic acid,B-[4-(ethylsulfonyl)phenyl]-

[4-(ethanesulfonyl)phenyl]boronic acidBORONIC ACID, [4-(ETHYLSULFONYL)PHENYL]-SCHEMBL248212DTXSID00956694CVBNDDGEVPNUNA-UHFFFAOYSA-N4-ethanesulfonylphenyl boronic acid4-Ethylsulfonylbenzene boronic acid4-ethanesulphonylbenzeneboronic acid

데이터베이스 식별자

CAS: 352530-24-6
PubChem CID: 2773420
DTXSID: DTXSID00956694
EC Number: 681-991-2

물성

구조 계산 물성

극성 표면적: 83 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 135 · 135-139°C
끓는 점: 447.1 · 447.1±51.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.7 · 7.70±0.16(Predicted)
색상: 회백색
수용성: 물에 약간 용해됩니다.

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.