Methyl propiolate (HCID 13536)

이름 및 식별자

우선 이름: Methyl propiolate
IUPAC: methyl prop-2-ynoate
현지명: 메틸 프로피오레이트
영어명: Methyl propiolate
분자식: C4H4O2
분자량: 84.07

이름 및 동의어

METHYL PROPIOLATEMethyl propynoatePropiolic acid, methyl estermethyl propargylatePropynoic acid methyl estermethyl 2-propynoateAI3-37828EINECS 213-083-5BRN 0605462T88NXO102KNSC-1541644-02-00-01688 (Beilstein Handbook Reference)

이름 더 보기

메틸프로피오레이트메틸프로피올산염메틸프로피올레이트메틸프로피올산염(METHYLPROPIOLATE)메틸 프로피올레이트4-Methoxy-4-oxobut-2-ynoic acidPROPYNOIC ACID, METHYL ESTERHCequivCCOOCH3Methyl propinoateMETHYPROPIOLATE,99%MethylPropiolate>Sucrose Impurity 14

UNII-T88NXO102Kmethyl acetylenemonocarboxylate(CARBOMETHOXY)ACETYLENE(METHOXYCARBONYL)ACETYLENEDTXSID60238923RefChem:158010DTXCID101614147515-15-3

데이터베이스 식별자

CAS: 922-67-8
PubChem CID: 13536
DTXSID: DTXSID60238923
ChEMBL: CHEMBL4086262
UNII: T88NXO102K
EC Number: 213-083-5
Nikkaji: J87.385C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 95.4

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: 171 · 171-173 °C
끓는 점: 103 · 103-105 °C (lit.)
밀도: 0.945 g/mL · 0.945 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.408(lit.)
인화점: 50 °F · 50 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 액체
Specific Gravity: 0.945 · 0.9450
색상: 무색의
수용성: 물과 섞이지 않습니다.
BRN: 605462 · 605462
안정성: 안정적인. 가연성이 높습니다. 강한 산화제, 염기, 산과 호환되지 않습니다.
InChI: 1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
InChIKey: IMAKHNTVDGLIRY-UHFFFAOYSA-N
SMILES: COC(=O)C#C
NIST: 2 · 2-Propynoic acid, methyl ester(922-67-8)

화학적 성질

colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 12-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24695

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
rtecs: UE0050000
ridadr: UN 3272 3/PG 2
HS 번호: 29161980
risk_code: 11-36/37/38-36
hazard_code: F,Xi
safety_code: 26-36-36/37/39-23-16-33-7/9
포장분류: II
위험 등급: 3
기존화학 물질: KE-25290
F 고인화성물질: 19
위험 참고 사항: Highly Flammable/Harmful
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도Methyl propiolate was used in the synthesis of polysubstituted 3-arylaminoacrylate and tetrahydropyrimidin-2-one derivatives. It was also used as a thiol derivatizing agent for capillary electrophoresis.

일반 설명Methyl Propiolate is an α,β-unsaturated ester that can undergo Diels-Alder and various other cycloaddition reactions, Michael additions, acetylide formation, halogen addition, as well as a range of cyclization reactions to produce heterocycles and aromatic compounds.