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CAS No.: | 31166-29-7 |
---|---|
Name: | 4,5-Dichlorothiophene-2-carboxylic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H2Cl2O2S |
Molecular Weight: | 197.042 |
Synonyms: | 2,3-Dichloro-5-thiophenecarboxylicacid;2-Thiophenecarboxylicacid, 4,5-dichloro-; |
EINECS: | 1312995-182-4 |
Density: | 1.708 g/cm3 |
Melting Point: | 196-197 °C |
Boiling Point: | 315.3 °C at 760 mmHg |
Flash Point: | 144.5 °C |
Risk Codes: | 36/37/38-20/22 |
Safety: | 20-26-35 |
PSA: | 65.54000 |
LogP: | 2.75310 |
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Systematic Name: 4,5-Dichlorothiophene-2-carboxylic acid
Synonyms of 4,5-Dichlorothiophene-2-carboxylic acid (CAS NO.31166-29-7): 2,3-Dichloro-5-thiophenecarboxylicacid ; 2-Thiophenecarboxylicacid, 4,5-dichloro-
CAS NO: 31166-29-7
Molecular Formula: C5H2Cl2O2S
Molecular Weight: 197.0392
Molecular Structure:
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 54.54 Å2
Index of Refraction: 1.636
Molar Refractivity: 41.35 cm3
Molar Volume: 115.3 cm3
Surface Tension: 62.4 dyne/cm
Density: 1.708 g/cm3
Flash Point: 144.5 °C
Enthalpy of Vaporization: 58.76 kJ/mol
Boiling Point: 315.3 °C at 760 mmHg
Vapour Pressure: 0.000186 mmHg at 25°C
SMILES: O=C(O)c1sc(Cl)c(Cl)c1
InChI: InChI=1/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey: JDBAYLWBVQVMTD-UHFFFAOYAG
Std. InChI: InChI=1S/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
Std. InChIKey: JDBAYLWBVQVMTD-UHFFFAOYSA-N