메틸푸란-3-카르복실레이트

Methyl furan-3-carboxylate

HCID 14918

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13129-23-2
표준 SMILES: COC(=O)c1ccoc1
InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N
분자식: C6H6O3
평균 분자량: 126.11 g/mol
단동위원소 질량: 126.03169405

이름 및 식별자

우선 이름: Methyl furan-3-carboxylate
IUPAC: methyl furan-3-carboxylate
현지명: 메틸푸란-3-카르복실레이트
영어명: Methyl furan-3-carboxylate
분자식: C6H6O3
분자량: 126.11

이름 및 동의어

methyl furan-3-carboxylateMethyl 3-furoateMethyl 3-furancarboxylate3-(Methoxycarbonyl)furanNSC-305748UNII-V05P3H54N5V05P3H54N5NSC 305748RefChem:157871672-679-7ZKHQSQYLKSSYIP-UHFFFAOYSA-N13129-23-2

이름 더 보기

메틸푸란-3-카르복실레이트Nsc3057483-furoic esterRARECHEM AL BF 0196thyl furan-3-carboxylate3-Methyl furan carboxylateMethyl3-Furancarboxylate>

3-Furancarboxylic Acid Methyl Ester3-Furancarboxylic acid, methyl ester3-Furoic acid, methyl esterMFCD062036711334-76-5furan-3-carboxylic acid methyl esterMethyl furancarboxylate3-Furoic Acid Methyl Ester

데이터베이스 식별자

CAS: 13129-23-2、1334-76-5
PubChem CID: 14918
DTXSID: DTXSID00871954
UNII: V05P3H54N5
EC Number: 672-679-7
Nikkaji: J127.896G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

Kovats Retention Index934.4

물리화학적 성질

녹는점: 64 · 64-67 °C
끓는 점: 64 °C/4mmHg · 64°C/4mmHg
밀도: 1.17 · 1.17
굴절률: 1.467 to · 1.4670 to 1.4700
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N
SMILES: O1C=CC(C(OC)=O)=C1
NIST: 3 · 3-Furancarboxylic acid, methyl ester(13129-23-2)

화학적 성질

Pale yellow to colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

안전 데이터

ridadr: UN 3272 3/PG III
HS 번호: 2932190090
포장분류: III
위험 등급: 3

화학 및 산업

공급사91 곳

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

화합물 노트

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