Methyl furan-3-carboxylate

HCID 14918

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Grundinformationen

CAS: 13129-23-2
Standard-SMILES: COC(=O)c1ccoc1
InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N
Summenformel: C6H6O3
Durchschnittliche Molmasse: 126,11 g/mol
Monoisotopische Masse: 126,03169405

Namen und Bezeichner

Bevorzugter Name: Methyl furan-3-carboxylate
IUPAC: methyl furan-3-carboxylate
Englischer Name: Methyl furan-3-carboxylate
Summenformel: C6H6O3
Molmasse: 126.11

Namen und Synonyme

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

Weitere Namen anzeigen

Nsc3057483-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 111

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index934.4

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-67 °C
Siedepunkt: 64 °C/4mmHg · 64°C/4mmHg
Dichte: 1.17 · 1.17
Brechungsindex: 1.467 to · 1.4670 to 1.4700
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: 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
CAS Datenbank: 13129 · 13129-23-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Furancarboxylic acid, methyl ester(13129-23-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)

Sicherheitsdaten

ridadr: UN 3272 3/PG III
hs_code: 2932190090
hazard_class: 3
packing_group: III

Chemie und Industrie

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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]

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