2-메틸설포닐에틸클로로카보네이트

Carbonochloridic acid, 2-(methylsulfonyl)ethyl ester

HCID 104458

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53298-29-6
표준 SMILES: CS(=O)(=O)CCOC(=O)Cl
InChIKey: KRGWSYPAFWHXQI-UHFFFAOYSA-N
분자식: C4H7ClO4S
평균 분자량: 186.61 g/mol
단동위원소 질량: 185.97535738

개요

amino protecting group in peptide synthesis; structure

이름 및 식별자

우선 이름: Carbonochloridic acid, 2-(methylsulfonyl)ethyl ester
IUPAC: 2-methylsulfonylethyl carbonochloridate
현지명: 2-메틸설포닐에틸클로로카보네이트
영어명: 2-METHYLSULFONYLETHYL CHLOROCARBONATE
분자식: C4H7ClO4S
분자량: 186.61

이름 및 동의어

53298-29-62-Mesylethyl chloroformateMethylsulfonylethyloxycarbonyl groupS37868WS9LDTXSID80201437Carbonochloridic acid, 2-(methylsulfonyl)ethyl esterRefChem:158328DTXCID80123928258-463-12-(methylsulfonyl)ethyl carbonochloridate2-methylsulfonylethyl carbonochloridate2-methanesulfonylethyl chloroformate

이름 더 보기

2-메틸설포닐에틸클로로카보네이트2-(METHYLSULFONYL)-ETHYL CHLOROFORMATE2-METHYLSULFONYLETHYL CHLOROCARBONATE 97%2-methylsulfonyl ethyloxycarbonyl chlorideChloroformic acid 2-methylsulfonylethyl ester

2-Methylsulfonylethyl chlorocarbonate{2-[(CHLOROCARBONYL)OXY]ETHANESULFONYL}METHANEEINECS 258-463-1SCHEMBL635545UNII-S37868WS9LDCA298292-(methylsulfonyl)ethyl chloroformate2-methylsulfonylethoxycarbonyl chloride

데이터베이스 식별자

CAS: 53298-29-6
PubChem CID: 104458
DTXSID: DTXSID80201437
UNII: S37868WS9L
EC Number: 258-463-1
Nikkaji: J40.689I

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 68.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 335.6 · 335.6±25.0 °C(Predicted)
밀도: 1.43 · 1.430±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.