S-(3-클로로-2-메틸-3-옥소프로필)에탄티오에이트

S-(3-클로로-2-메틸-3-옥소프로필)에탄티오에이트 · 3-Acetylthio-2-Methylpropionyl Chloride · 3-ACETYLSULFUR-2-METHYLPROPIONYL CHLORIDE · (3-chloro-2-methyl-3-oxopropyl) ethanethioate · Thioacetic acid S-(2-chloroformylpropyl) ester · S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate · Ethanethioic acid S-(3-chloro-2-methyl-3-oxopropyl)ester · ethanethioic acid, s-(3-chloro-2-methyl-3-oxopropyl)ester

https://huagongshe.com/ko/chemical/103458

식별자 및 물리적 특성

CAS No.	64805-64-7
분자식	C6H9ClO2S
평균 분자량	180.65 g/mol
단동위원소 질량	180.00117821 g/mol
SMILES	CC(=O)SCC(C)C(=O)Cl
InChIKey	LUDPWTHDXSOXDX-UHFFFAOYSA-N
PubChem CID	103458
EC No.	265-242-3
DTXSID	DTXSID50886699
현지명	S-(3-클로로-2-메틸-3-옥소프로필)에탄티오에이트

화학 및 물리적 성질

XLogP	1.7
극성 표면적	59.4
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	10
형식 전하	0
복잡도	147
끓는 점	229.1±23.0 °C(Predicted)
밀도	1.224±0.06 g/cm3(Predicted)
EPA	Ethanethioic acid, S-(3-chloro-2-methyl-3-oxopropyl) ester (64805-64-7)

안전 및 규제

GHS 분류	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Corr. 1B (100%)
TSCA 등재 상태	TSCA listed