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Cas Database |
| Name |
Ethyl 2-amino-4-phenylthiophene-3-carboxylate |
EINECS | N/A |
| CAS No. | 4815-36-5 | Density | 1.231 g/cm3 |
| PSA | 80.56000 | LogP | 3.75520 |
| Solubility | N/A | Melting Point |
92-97 °C |
| Formula | C13H13NO2S | Boiling Point | 391 °C at 760 mmHg |
| Molecular Weight | 247.318 | Flash Point | 190.3 °C |
| Transport Information | N/A | Appearance | Yellow Solid |
| Safety | 22 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene;2-Amino-3-carboethoxy-4-phenylthiophene;Ethyl 2-amino-4-phenyl-3-thiophenecarboxylate;NSC 149683;NSC 171773; |
Article Data | 40 |
Ethyl 2-amino-4-phenylthiophene-3-carboxylate Chemical Properties
IUPAC Name: ethyl 2-amino-4-phenylthiophene-3-carboxylate
Empirical Formula: C13H13NO2S
Molecular Weight: 247.3128g/mol
Structure of 3-Thiophenecarboxylicacid, 2-amino-4-phenyl-, ethyl ester (CAS NO.4815-36-5):
Index of Refraction: 1.612
Molar Refractivity: 69.87 cm3
Molar Volume: 200.8 cm3
Polarizability: 27.69×10-24cm3
Surface Tension: 50 dyne/cm
Density: 1.231 g/cm3
Flash Point: 190.3 °C
Enthalpy of Vaporization: 64.06 kJ/mol
Boiling Point: 391 °C at 760 mmHg
Vapour Pressure: 2.54E-06 mmHg at 25°C
Canonical SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N
InChI: InChI=1S/C13H13NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKey: WYTHTMKMOSPACP-UHFFFAOYSA-N
Ethyl 2-amino-4-phenylthiophene-3-carboxylate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 1gm/kg (1000mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 563, 1980. |
Ethyl 2-amino-4-phenylthiophene-3-carboxylate Safety Profile
Hazard Codes: 
Xi
HazardClass: IRRITANT
Ethyl 2-amino-4-phenylthiophene-3-carboxylate Specification
3-Thiophenecarboxylicacid, 2-amino-4-phenyl-, ethyl ester , its cas register number is 4815-36-5. It also can be called 2-Amino-4-phenylthiophene-3-carboxylic acid ethyl ester ; 5-18-12-00255 (Beilstein Handbook Reference) ; Amino-2 ethoxycarbonyl-3 phenyl-4 thiophene ; BRN 1429620 ; Ethyl 2-amino-4-phenylthiophene-3-carboxylate ; NSC 149683 .
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