Ethyl 3-furoate

HCID 69201CAS 614-98-2

기본 정보

표준 SMILES: CCOC(=O)c1ccoc1
InChIKey: LOFDXZJSDVCYAS-UHFFFAOYSA-N
분자식: C7H8O3
평균 분자량: 140.14 g/mol
단동위원소 질량: 140.04734411

이름 및 식별자

우선 이름: Ethyl 3-furoate
IUPAC: ethyl furan-3-carboxylate
영어명: Ethyl 3-furancarboxylate
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

Ethyl 3-furoate614-98-2Ethyl 3-Furancarboxylate3-Furancarboxylic acid, ethyl esterEINECS 210-403-5I8Q0YN919KNSC-349939DTXSID90210333NSC 349939RefChem:594961DTXCID90132824210-403-5

이름 더 보기

Ethyl-3-fluroateEthyl 3-furoate,99%RARECHEM AL BI 0196Ethyl 3-furoate 98%Ethyl 3-furoate, GC 99%3-FUROIC ACID ETHYL ESTEREthyl3-Furancarboxylate>

ethyl furan-3-carboxylateMFCD00005348ETHYL-3-FUROATEethylfuran-3-carboxylateSCHEMBL624090GEO-03433AKOS009165562SB61197

데이터베이스 식별자

CAS: 614-98-2
PubChem CID: 69201
DTXSID: DTXSID90210333
ChEBI: CHEBI:193961
UNII: I8Q0YN919K
EC Number: 210-403-5
Nikkaji: J297.792C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 93 · 93-95 °C35 mm Hg(lit.)
밀도: 1.038 g/mL · 1.038 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.46(lit.)
인화점: 139 °F · 139 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
InChIKey: LOFDXZJSDVCYAS-UHFFFAOYSA-N
SMILES: O1C=CC(C(OCC)=O)=C1
LogP: 1.78 · 1.780

화학적 성질

clear slightly yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 29321900
hazard_code: Xi,H226
safety_code: 24/25
포장분류: III
위험 등급: 3.2
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Ethyl 3-furoate was used as starting reagent for the synthesis of ethyl 2,3-bis(trifluoromethyl)-7-oxabicyclo[2,2,1]hepta-2,5-diene-5-carboxylate and 4-(1-hydroxy-1-methyl-ethyl)-furan-2-sulfonamide.

일반 설명Ethyl 3-furoate undergoes regioselective palladium(0)-catalyzed arylation reaction with aryl bromides.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

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