4-(이소프로필술포닐페닐)붕소산

4-(Isopropylsulphonyl)benzeneboronic acid

HCID 44119327

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850567-98-5
표준 SMILES: CC(C)S(=O)(=O)c1ccc(B(O)O)cc1
InChIKey: IGJLXIUSOMMUIV-UHFFFAOYSA-N
분자식: C9H13BO4S
평균 분자량: 228.08 g/mol
단동위원소 질량: 228.0627602

이름 및 식별자

우선 이름: 4-(Isopropylsulphonyl)benzeneboronic acid
IUPAC: (4-propan-2-ylsulfonylphenyl)boronic acid
현지명: 4-(이소프로필술포닐페닐)붕소산
영어명: 4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID
분자식: C9H13BO4S
분자량: 228.07

이름 및 동의어

4-(Isopropylsulphonyl)benzeneboronic acidRefChem:516224690-464-6850567-98-5(4-(Isopropylsulfonyl)phenyl)boronic acid4-(ISOPROPYLSULFONYLPHENYL)BORONIC ACID4-(isopropylsulfonyl)phenylboronic acid4-ISOPROPYLSULFONYLBENZENEBORONIC ACID4-ISOPROPYLSULFONYLPHENYLBORONIC ACIDMFCD06659866(4-propan-2-ylsulfonylphenyl)boronic acidC9H13BO4S

이름 더 보기

4-(이소프로필술포닐페닐)붕소산Boronic acid, B-[4-[(1-Me...4-(Isopropylsulfonylphenyl)bor4-Isopropylsulfonylbenzeneboronic acid, 97%4-(Isopropylsulphonyl)benzeneboronic acid 97%4-(Isopropylsulphonyl)benzeneboronic acid 97+%[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acid

boronic acid, b-[4-[(1-methylethyl)sulfonyl]phenyl]-(4-isopropylsulfonylphenyl)boronic acidB-[4-[(1-Methylethyl)sulfonyl]phenyl]boronic acidAKOS015890309AB26505[4-(propane-2-sulfonyl)phenyl]boronic acid4-Boronophenyl isopropyl sulphone4-(Isopropylsulphon

데이터베이스 식별자

CAS: 850567-98-5
PubChem CID: 44119327
DTXSID: DTXSID10657140
EC Number: 690-464-6

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: 15
형식 전하: 0
복잡도: 286

물리화학적 성질

녹는점: 126 · 126-128
끓는 점: 443.1 · 443.1±51.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 7.72 · 7.72±0.16(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.