4-톨루엔설포닐라세톤

(p-Tolylsulphonyl)acetone

HCID 79327CAS 5366-49-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIKey: NDQXJNHOGLQSMB-UHFFFAOYSA-N
분자식: C10H12O3S
평균 분자량: 212.27 g/mol
단동위원소 질량: 212.05071524

이름 및 식별자

우선 이름: (p-Tolylsulphonyl)acetone
IUPAC: 1-(4-methylphenyl)sulfonylpropan-2-one
현지명: 4-톨루엔설포닐라세톤
영어명: 4-Toluenesulfonylacetone
분자식: C10H12O3S
분자량: 212.27

이름 및 동의어

5366-49-4(p-Tolylsulphonyl)acetoneEINECS 226-353-2DTXSID202018951-[(4-Methylphenyl)sulfonyl]-2-propanone1-((4-Methylphenyl)sulfonyl)-2-propanoneRefChem:406804DTXCID50124386226-353-24-Toluenesulfonylacetone1-Tosylpropan-2-onep-Toluenesulfonylacetone

이름 더 보기

4-톨루엔설포닐라세톤Tosylacetone1-Tosylacetone1-Tosyl-2-propanoneP-TOLUENESULPHONYLACETONE4-TOLUENESULFONYLACETONE 98%

1-[(4-Methylphenyl)sulfonyl]acetone1-(p-Tolylsulfonyl)-2-propanone1-(4-methylphenyl)sulfonylpropan-2-one2-Propanone, 1-(p-tolylsulfonyl)-1-(4-methylbenzenesulfonyl)propan-2-one(p-Tolylsulfonyl)acetoneMFCD000262402-Propanone, 1-[(4-methylphenyl)sulfonyl]-

데이터베이스 식별자

CAS: 5366-49-4
PubChem CID: 79327
DTXSID: DTXSID20201895
UNII: VT2HSM4KW5
EC Number: 226-353-2
Nikkaji: J124.115J

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 59.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 292

물리화학적 성질

녹는점: 52 °C · 52 °C
끓는 점: 167 °C · 167 °C(Press: 0.1 Torr)
밀도: 1.195 · 1.195±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
BRN: 1310695 · 1310695

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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.