Methyl 5-formylthiophene-3-carboxylate

HCID 818925CAS 67808-66-6

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Grundinformationen

Standard-SMILES: COC(=O)c1csc(C=O)c1
InChIKey: GNXNZRYWBFMVHK-UHFFFAOYSA-N
Summenformel: C7H6O3S
Durchschnittliche Molmasse: 170,19 g/mol
Monoisotopische Masse: 170,00376505

Namen und Bezeichner

Bevorzugter Name: Methyl 5-formylthiophene-3-carboxylate
IUPAC: methyl 5-formylthiophene-3-carboxylate
Englischer Name: Methyl 2-formyl-4-thiophenecarboxylate
Summenformel: C7H6O3S
Molmasse: 170.19

Namen und Synonyme

67808-66-6methyl 5-formylthiophene-3-carboxylate3-Thiophenecarboxylic acid, 5-formyl-, methyl esterDTXSID20356011RefChem:817092DTXCID90307070676-752-4Methyl 2-Formyl-4-ThiophenecarboxylateMFCD01859945Methyl 2-formylthiophene-4-carboxylate2-Formylthiophene-4-carboxylic acid methylesterSCHEMBL2940872

Weitere Namen anzeigen

2-FORMYLTHIOPHENE-4-CARBOXYLICMethyl 2-formylthiophene-4-carboxylate 98%Methyl 2-formylthiophene-4-carboxylate, 95%,5-Formyl-3-Thiophene Carboxylic Acid Methylester5-Formylthiophene-3-carboxylic acid methyl ester2-FORMYLTHIOPHENE-4-CARBOXYLIC ACID METHYL ESTER

GNXNZRYWBFMVHK-UHFFFAOYSA-NCS-D0187methyl5-formylthiophene-3-carboxylateSBB052265AKOS003657321AC-5472FM03076Methyl 5-formyl-3-thiophenecarboxylate

Datenbank-Bezeichner

CAS: 67808-66-6
PubChem CID: 818925
DTXSID: DTXSID20356011
EC Number: 676-752-4
Nikkaji: J150.337E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 113 · 113-116°C
Siedepunkt: 296 · 296.0±25.0 °C(Predicted)
Dichte: 1.324 · 1.324±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
CAS Datenbank: 67808 · 67808-66-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.