클로로글리옥실산에틸에스테르

Ethoxalyl chloride

HCID 20884CAS 4755-77-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C(=O)Cl
InChIKey
OWZFULPEVHKEKS-UHFFFAOYSA-N
분자식
C4H5ClO3
평균 분자량
136.53 g/mol
단동위원소 질량
135.9927217

개요

structure in first source

이름 및 식별자

우선 이름
Ethoxalyl chloride
IUPAC
ethyl 2-chloro-2-oxoacetate
현지명
클로로글리옥실산에틸에스테르
영어명
Ethyl chlorooxoacetate
분자식
C4H5ClO3
분자량
136.53

이름 및 동의어

Ethoxalyl chlorideRefChem:5963544755-77-5Ethyl chlorooxoacetateEthyl oxalyl chlorideethyl oxalyl monochlorideETHYL CHLOROGLYOXYLATEEthyl 2-chloro-2-oxoacetateAcetic acid, chlorooxo-, ethyl esterethyl 2-chloro-2-oxo-acetateEthoxyoxalyl ChlorideOxalic acid monoethyl ester chloride
이름 더 보기
클로로글리옥실산에틸에스테르에틸 옥살일 클로라이드2-chloro-2-oxoacetateETCOXmono-Ethyl oxalyl chlorideEthyl (Chlorocarbonyl)formate
ethyl chloroformylformateMonoethyl oxaloyl chlorideC4H5ClO3Oxalyl chloride, ethyl esterchlorooxoacetic acid ethyl esterethyl chloro(oxo)acetateMFCD00000706Acetic acid, 2-chloro-2-oxo-, ethyl ester

데이터베이스 식별자

CAS
4755-77-5
PubChem CID
20884
DTXSID
DTXSID3063598
UNII
S8B2T78QGR
EC Number
225-285-0
Nikkaji
J1.829E

물성

구조 계산 물성

XLogP
1.4
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesBoiling point
Vapor Pressure7.61 [mmHg]
Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
156 · 156-158 °C(Solv: ethanol (64-17-5))
끓는 점
135 °C · 135 °C
밀도
1.222 g/mL · 1.222 g/mL at 25 °C(lit.)
굴절률
1.416 · 1.416-1.418
인화점
41 °C · 41 °C
저장 조건
2 · Inert atmosphere,2-8°C

화학적 성질

clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (96.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 26-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30645

Ethyl chloroglyoxylate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] Reacts violently with water; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (96.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
2920
HS 번호
29171990
risk_code
34-29-20/21/22-14-10-37-36
hazard_code
C,F

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-chloro-2-oxo-, ethyl ester: ACTIVE

응용 분야

개요Ethyl chlorooxoacetate has been used as a reactant in the preparation of oxyoxalamide derivatives as epoxide hydrolase inhibitors.

용도Ethyl oxalyl chloride is used in the synthesis of 2-oxo-3-alkenoic esters and alpha-keto ester in good yield. It acts as a reactant in the preparation of oxyoxalamide derivatives as an epoxide hydrolase inhibitor.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东玖玥生物科技有限公司18853316981

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