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Cas Database |
| Name |
Methyl 3-amino-5-phenylthiophene-2-carboxylate |
EINECS | N/A |
| CAS No. | 100063-22-7 | Density | 1.265 g/cm3 |
| PSA | 80.56000 | LogP | 3.36510 |
| Solubility | N/A | Melting Point |
147 °C |
| Formula | C12H11NO2S | Boiling Point | 442.5 ºC at 760 mmHg |
| Molecular Weight | 233.291 | Flash Point | 221.4 ºC |
| Transport Information | N/A | Appearance | Yellow crystals |
| Safety | 24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Amino-5-phenyl-2-thiophenecarboxylicacid methyl ester;5-Phenyl-3-amino-2-(methoxycarbonyl)thiophene;5-Phenyl-3-aminothiophene-2-carboxylic acid methyl ester;2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, methyl ester; |
Article Data | 9 |
Methyl 3-amino-5-phenylthiophene-2-carboxylate Chemical Properties
Molecule structure of Methyl 3-amino-5-phenylthiophene-2-carboxylate (CAS NO.100063-22-7):
IUPAC Name: Methyl 3-amino-5-phenylthiophene-2-carboxylate
Molecular Weight: 233.28624 g/mol
Molecular Formula: C12H11NO2S
Density: 1.265 g/cm3
Melting Point: 147 °C
Boiling Point: 442.5 °C at 760 mmHg
Flash Point: 221.4 °C
Index of Refraction: 1.625
Molar Refractivity: 65.23 cm3
Molar Volume: 184.3 cm3
Surface Tension: 51.7 dyne/cm
Enthalpy of Vaporization: 69.99 kJ/mol
Vapour Pressure: 5.01E-08 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 233.051049
MonoIsotopic Mass: 233.051049
Topological Polar Surface Area: 52.3
Heavy Atom Count: 16
Canonical SMILES: COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
InChI: InChI=1S/C12H11NO2S/c1-15-12(14)11-9(13)7-10(16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey: QESSCNMSOLRYBO-UHFFFAOYSA-N
Product Categories: Esters;Thiophenes & Benzothiophenes;Thiophenes & Benzothiophenes
Methyl 3-amino-5-phenylthiophene-2-carboxylate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
Hazard Note: Irritant
Methyl 3-amino-5-phenylthiophene-2-carboxylate Specification
Methyl 3-amino-5-phenylthiophene-2-carboxylate (CAS NO.100063-22-7) is also named as 2-thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester ; 3-Amino-5-phenylthiophene-2-carboxylic acid methyl ester ; Methyl 3-amino-5-phenyl-2-thiophenecarboxylate . Methyl 3-amino-5-phenylthiophene-2-carboxylate (CAS NO.100063-22-7) is yellow crystals.
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