4-(N,N-디메틸아미노술포닐)페닐보론산피나콜에스테르

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

HCID 3868489CAS 486422-04-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: CTBRPVYZBIZUDQ-UHFFFAOYSA-N
분자식: C14H22BNO4S
평균 분자량: 311.2 g/mol
단동위원소 질량: 311.13625958

이름 및 식별자

우선 이름: N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide
IUPAC: N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
현지명: 4-(N,N-디메틸아미노술포닐)페닐보론산피나콜에스테르
영어명: 4-(N,N-Dimethylaminosulfonyl)phenylboronic acid pinacol ester
분자식: C14H22BNO4S
분자량: 311.2

이름 및 동의어

486422-04-2DTXSID50397619N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamideRefChem:359292DTXCID40348478975-886-3N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide4-(N,N-DIMETHYLAMINOSULFONYL)PHENYLBORONIC ACID PINACOL ESTERMFCD03425962AKOS022182191AB14727SY122918

이름 더 보기

4-(N,N-디메틸아미노술포닐)페닐보론산피나콜에스테르4- (N, N-dimethyl amino sulfonyl) phenborate4-(DIMETHYLSULFONAMIDE)BENZENEBORONIC ACID PINACOL ESTER4-(N,N-Dimethylsulfamoyl)phenylboronic Acid Pinacol EsterN,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)4-(N,N-Dimethylsulphamoyl)benzeneboronicacid,pinacolester96%4-(N,N-Dimethylsulphamoyl)benzene-boronic acid, pinacol ester4-(N,N-Dimethylaminosulfonyl)benzeneboronic acid, pinacol ester4-(N,N-Dimethylsulphamoyl)benzeneboronic acid, pinacol ester 98%N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulphonamide

4-(N,N-Dimethylaminosulphonyl)benzeneboronic acid pinacol esterSCHEMBL183232CTBRPVYZBIZUDQ-UHFFFAOYSA-N4-(N,N-DSTR09906(4-(N,N-DIMETHYLSULFAMOYL)PHENYL)BORONIC ACID PINACOL ESTERCS-0046873EN300-7374681

데이터베이스 식별자

CAS: 486422-04-2
PubChem CID: 3868489
DTXSID: DTXSID50397619
EC Number: 975-886-3

물성

구조 계산 물성

극성 표면적: 64.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 460

물리화학적 성질

녹는점: 160 · 160 - 164°C
끓는 점: 415.2 · 415.2±47.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
산도 계수 (pKa): -4.88 · -4.88±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 수분에 민감한

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.