Methyl chloroglyoxylate

HCID 79846CAS 5781-53-3

기본 정보

표준 SMILES
COC(=O)C(=O)Cl
InChIKey
ZXUQEPZWVQIOJE-UHFFFAOYSA-N
분자식
C3H3ClO3
평균 분자량
122.51 g/mol
단동위원소 질량
121.97707164

이름 및 식별자

우선 이름
Methyl chloroglyoxylate
IUPAC
methyl 2-chloro-2-oxoacetate
영어명
METHYL OXALYL CHLORIDE
분자식
C3H3ClO3
분자량
122.51

이름 및 동의어

5781-53-3Methyl chlorooxoacetateMethyl chloroglyoxylateMethyl oxalyl chloridemethyl 2-chloro-2-oxoacetateAcetic acid, chlorooxo-, methyl esterChloroglyoxylic Acid Methyl Estermethoxalyl chloride42Z6XG83RQAcetic acid, 2-chloro-2-oxo-, methyl esterEINECS 227-307-4DTXSID9064003
이름 더 보기
MONO-METHYL OXALYL CHLORIDEMethyl Oxalyl ChorideMethyl chlorooxoacetate 96%Oxalyl chloride MonoMethyl esterKelex-103orocarbonyL
RefChem:817673DTXCID3042269227-307-4Methyl (Chlorocarbonyl)formatemethyl 2-chloro-2-oxo-acetatemethyl chloro(oxo)acetateMFCD00000705Methyloxalylchloride

데이터베이스 식별자

CAS
5781-53-3
PubChem CID
79846
DTXSID
DTXSID9064003
UNII
42Z6XG83RQ
EC Number
227-307-4
Nikkaji
J218.045F

물성

구조 계산 물성

XLogP
1.1
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점
118 · 118-120 °C (lit.)
밀도
1.332 g/mL · 1.332 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.419(lit.)
인화점
116 °F · 116 °F
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름 (약간 용해됨), 에틸아세테이트

화학적 성질

CLEAR LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22282

Chloroglyoxylic acid methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
HS 번호
29171900
risk_code
34-37-10-36-14
hazard_code
C,F

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-chloro-2-oxo-, methyl ester: ACTIVE
응용 분야 · 1건

용도Methyl oxalyl chloride is used as a synthetic reagent. It serves as a reagent in the synthesis of fused coumarins, substituted isoxazoles and heterocycles. Further, it is used in intramolecular Wittig reactions, and iron-mediated cleavage of C-C bonds.

공급사50 곳

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]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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304건

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