카르보닐산클로르에틸에틸에스테르

Carbonic acid, 1-chloroethyl ethyl ester

HCID 162095CAS 50893-36-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)OC(C)Cl
InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N
분자식: C5H9ClO3
평균 분자량: 152.57 g/mol
단동위원소 질량: 152.02402183

이름 및 식별자

우선 이름: Carbonic acid, 1-chloroethyl ethyl ester
IUPAC: 1-chloroethyl ethyl carbonate
현지명: 카르보닐산클로르에틸에틸에스테르
영어명: 1-Chloroethyl ethyl carbonate
분자식: C5H9ClO3
분자량: 152.58

이름 및 동의어

50893-36-2Carbonic acid, 1-chloroethyl ethyl esterEINECS 256-832-1DTXSID60885936RefChem:123581DTXCID5010252921-Chloroethyl ethyl carbonate1-Chlorodiethyl CarbonateMFCD000405231-chloroethyl ethoxyformateethyl (1-chloroethyl) carbonateAKOS015907754

이름 더 보기

카르보닐산클로르에틸에틸에스테르카보닐산클로로에틸에스테르1-클로로에틸 에틸 카보네이트CEEC1-CHLOROETHYL ETHYL1-chlorobutyl carbonate1-Chloroethyl ethyl carbote1-chloroethy ethyl carbonateEthyl-(1-chloroethyl)-carbonateCarbonic acid 1-chloroethyl=ethyl1-Chloroethyl Ethyl Carbonate >

Carbonic Acid 1-Chloroethyl Ethyl EsterEN300-1075501-Chloroethyl ethyl carbonate, >=98.0% (GC)1-chloroethylethylcarbonate1-ethoxycarbonyloxyethyl chlorideCarbonic acid, 1-chl1-chloroethyl ethylcarbonateethyl 1-chloroethyl carbonate

데이터베이스 식별자

CAS: 50893-36-2
PubChem CID: 162095
DTXSID: DTXSID60885936
EC Number: 256-832-1
Nikkaji: J24.069I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.2

물리화학적 성질

녹는점: 159 · 159-161°C
끓는 점: 159 · 159-161 °C(lit.)
밀도: 1.136 g/mL · 1.136 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.413
인화점: 65 °C · 65°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: 기름
색상: 무색
BRN: 3536477 · 3536477
안정성: 수분에 민감한
InChI: 1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N
SMILES: CCOC(=O)OC(C)Cl
EPA: 1 · Carbonic acid, 1-chloroethyl ethyl ester (50893-36-2)

화학적 성질

Clear pale yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Warning

H315 (95.3%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.