2-(tert-부틸아미노)술포닐페닐보론산

Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-

HCID 4997616CAS 150691-04-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)NS(=O)(=O)c1ccccc1B(O)O
InChIKey: TUEIURIZJQRMQE-UHFFFAOYSA-N
분자식: C10H16BNO4S
평균 분자량: 257.12 g/mol
단동위원소 질량: 257.08930939

이름 및 식별자

우선 이름: Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-
IUPAC: [2-(tert-butylsulfamoyl)phenyl]boronic acid
현지명: 2-(tert-부틸아미노)술포닐페닐보론산
영어명: 2-(tert-Butylamino)sulfonylphenylboronic acid
분자식: C10H16BNO4S
분자량: 257.11

이름 및 동의어

Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-Boronic acid, B-(2-(((1,1-dimethylethyl)amino)sulfonyl)phenyl)-RefChem:570127604-746-3150691-04-6(2-(N-(tert-Butyl)sulfamoyl)phenyl)boronic acid2-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic AcidMFCD013189432-(t-Butylamino)sulfonylphenylboronic acid2-(TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID2-(N-TERT-BUTYLSULFAMOYL)PHENYLBORONIC ACID

이름 더 보기

2-(tert-부틸아미노)술포닐페닐보론산AKOS BRN-0531CHEMBRDG-BB 3200963N-TERT-BUTYLBENZENESULFONAMIDE-2-BORONIC ACID(2-((TERT-BUTYLAMINO)SULFANYL)PHENYL) BORONIC ACID[2-(tert-butylsulfamoyl)phenyl]boronic acid - [S20138]

Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-SCHEMBL519774SCHEMBL29442141DTXSID60407374TUEIURIZJQRMQE-UHFFFAOYSA-NAKOS0041192982-Borono-N-tert-butylbenzenesulfonamideAB08766

데이터베이스 식별자

CAS: 150691-04-6
PubChem CID: 4997616
DTXSID: DTXSID60407374
EC Number: 604-746-3
Nikkaji: J1.628.487D

물성

구조 계산 물성

극성 표면적: 95 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 118 · 118-119 °C
끓는 점: 443.2 · 443.2±55.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 8 · 8.00±0.53(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.