Methyl cyclopropanecarboxylate

HCID 76122CAS 2868-37-3
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기본 정보

표준 SMILES
COC(=O)C1CC1
InChIKey
PKAHQJNJPDVTDP-UHFFFAOYSA-N
분자식
C5H8O2
평균 분자량
100.12 g/mol
단동위원소 질량
100.0524295

개요

Methyl cyclopropanecarboxylate is a methyl ester derived from cyclopropanecarboxylic acid. It is a methyl ester and a member of cyclopropanes. It is functionally related to a cyclopropanecarboxylic acid.

이름 및 식별자

우선 이름
Methyl cyclopropanecarboxylate
IUPAC
methyl cyclopropanecarboxylate
영어명
Methyl cyclopropane carboxylate
분자식
C5H8O2
분자량
100.12

이름 및 동의어

Methyl cyclopropanecarboxylateMethylcyclopropanecarboxylateCyclopropanecarboxylic acid, methyl esterMethyl cyclopropylcarboxylateEINECS 220-690-9UNII-5UQ53F585UAI3-272335UQ53F585UDTXSID3051967PKAHQJNJPDVTDP-UHFFFAOYSA-CHEBI:131412RefChem:157833
이름 더 보기
MCPCCyclopropyl methyl esterRARECHEM AL BF 0553Methyl cyclopropanoateLenvatinib Impurity 67Methylcyclopropancarboxylatmethylcyclopropylcarboxylate
DTXCID0030530InChI=1/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3PKAHQJNJPDVTDP-UHFFFAOYSA-N2868-37-3Methyl cyclopropane carboxylateCyclopropanecarboxylic Acid Methyl EsterMFCD00001280Lenvatinib Impurity 72

데이터베이스 식별자

CAS
2868-37-3
PubChem CID
76122
DTXSID
DTXSID3051967
ChEBI
CHEBI:131412
UNII
5UQ53F585U
EC Number
220-690-9
Nikkaji
J191.425A

물성

구조 계산 물성

XLogP
0.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점
119 °C/764 · 119 °C/764 mmHg (lit.)
밀도
0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.419(lit.)
인화점
64 °F · 64 °F
저장 조건
30 °C · Store below +30°C.
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 35.6% (37 of 104) of reports.

Danger

H225 (53.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Cyclopropanecarboxylic acid, methyl ester

Status: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21345

Hazard Classes and CategoriesFlam. Liq. 2 (53.8%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
GZ2017500
ridadr
UN 1992 3/PG 2
HS 번호
29162000
risk_code
11-21/22-36

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclopropanecarboxylic acid, methyl ester: ACTIVE

응용 분야

용도Methyl cyclopropane carboxylate is used as a reagent in the synthesis of N’thiazole and N-pyrazole based inhibitors of MAP kinase p38α.

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]
郑州阿尔法化工有限公司+86-18530059196 · [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]

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