Tert-Butanesulfinamide (HCID 3382465)

개요

structure in first source

이름 및 식별자

우선 이름: Tert-Butanesulfinamide
IUPAC: 2-methylpropane-2-sulfinamide
영어명: tert-Butanesulfinamide
분자식: C4H11NOS
분자량: 121.2

이름 및 동의어

tert-butanesulfinamideDTXSID90463241RefChem:476183DTXCID408220012-methylpropane-2-sulfinamide146374-27-82-Methyl-2-propanesulfinamidetert-Butylsulfinamidet-Butylsulfinamide2-Propanesulfinamide, 2-methyl-Ellman's sulfinamide1,1-dimethylethylsulfinamide

이름 더 보기

(S)-tert-ButanesulfinamideMethyl-2-propanesulfinaMideS-(-)-2-Methyl-2-propanesulfinamidetert-ButanesuL(S)-(C4H11NOS-)ert-Butylsulfinamide

2-Methylpropan-2-sulfinamideTERT-BUTYL SULFINAMIDEtert-butylsulphinamidetert-Butylsulfinamide, (+/-)-MFCD01863616C4H11NOS42F4K704G02-Methyl-propane-2-sulfinic acid amide

데이터베이스 식별자

CAS: 146374-27-8、196929-78-9、343338-28-3
PubChem CID: 3382465
DTXSID: DTXSID20391967
UNII: 42F4K704G0、7FEC1T720F、I85YC2ZA8O
EC Number: 619-964-4、926-811-8
Nikkaji: J796.219C

물성

구조 계산 물성

XLogP: 0
극성 표면적: 62.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 84.2

물리화학적 성질

녹는점: 97 · 97-101 °C(lit.)
끓는 점: 220 · 220.0±23.0 °C(Predicted)
밀도: 1.124 · 1.124
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 10.11 · 10.11±0.50(Predicted)
물리적 상태: 분말 또는 결정
색상: 흰색에서 황갈색까지
InChI: InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3
InChIKey: CESUXLKAADQNTB-UHFFFAOYSA-N
SMILES: CC(C)(S(N)=O)C

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Danger

H301 (42.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (42.9%)

안전 데이터

wgk: 3
HS 번호: 29309090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(±)-2-Methyl-2-propanesulfinamide is used in the synthesis of 4-sulfonyliminopiperidine and its reaction with benzyl Grignard to form an important pharmaceutical building block, 4-benzyl-4-aminopiperidne. It is also used to prepare spiro tosylaziridines via methylene insertion into the derived sulfonylimine.