메틸2-메틸-3-푸로에이트

Methyl 2-methylfuran-3-carboxylate

HCID 80237CAS 6141-58-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccoc1C
InChIKey: UVRRIABXNIGUJZ-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734412

이름 및 식별자

우선 이름: Methyl 2-methylfuran-3-carboxylate
IUPAC: methyl 2-methylfuran-3-carboxylate
현지명: 메틸2-메틸-3-푸로에이트
영어명: METHYL 2-METHYL-3-FUROATE
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

Methyl 2-methylfuran-3-carboxylateMethyl 2-methyl-3-furancarboxylate3-Furancarboxylic acid, 2-methyl-, methyl ester3-Furoic acid, 2-methyl-, methyl esterEINECS 228-132-6DTXSID40210343RefChem:157362DTXCID40132834228-132-6UVRRIABXNIGUJZ-UHFFFAOYSA-N6141-58-8Methyl 2-methyl-3-furoate

이름 더 보기

메틸2-메틸-3-푸로에이트Methyl 2-methylfurane-3-carboxylate2-Methyl-3-furancarboxylic acid methyl esterCompound Fr13769AKOS BBS-000043842-methyl-3-acidmethyl esterMethyl 2-methyl-3-furoate,97%

MFCD00003249AS-43527Methyl 2-methyl-3-furancarboxylate, 99%EN300-187272-Methyl-furan-3-carboxylic acid methyl esterFT-0612942A849586SCHEMBL701960

데이터베이스 식별자

CAS: 6141-58-8
PubChem CID: 80237
DTXSID: DTXSID40210343
EC Number: 228-132-6
Nikkaji: J110.552C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 75 °C20 · 75 °C20 mm Hg(lit.)
밀도: 1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 147 °F · 147 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
BRN: 1342040 · 1342040
InChI: InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: UVRRIABXNIGUJZ-UHFFFAOYSA-N
SMILES: O1C=CC(C(OC)=O)=C1C
LogP: 1.73 · 1.730 (est)

화학적 성질

CLEAR YELLOW TO BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 3-Furancarboxylic acid, 2-methyl-, methyl ester

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29321900
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl 2-methyl-3-furoate is a useful building block used in a variety of synthetic applications, such as the nickel-catalyzed amide bond formation from methyl esters, and gold-catalyzed arylation by arylsilanes.