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| CAS No.: | 7311-70-8 |
|---|---|
| Name: | 2,5-dibromothiophene-3-carboxylic acid,Canonical |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C5H2Br2O2S |
| Molecular Weight: | 285.944 |
| Synonyms: | 2,5-Dibromothiophene-3-carboxylic acid;3-Carboxy-2,5-dibromothiophene; |
| Density: | 2.309 g/cm3 |
| Melting Point: | 177.0 to 181.0 °C |
| Boiling Point: | 345.7 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| PSA: | 65.54000 |
| LogP: | 2.97130 |
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- Total:28 Page 1 of 1 1
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Specification
The 3-Thiophenecarboxylic acid, 2,5-dibromo-, with the CAS registry number 7311-70-8, is also known as 3-Carboxy-2,5-dibromothiophene. This chemical's molecular formula is C5H2Br2O2S and molecular weight is 285.94. What's more, its systematic name is 2,5-dibromothiophene-3-carboxylic acid.
Physical properties of 3-Thiophenecarboxylic acid, 2,5-dibromo- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54 Å2; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 46.94 cm3; (14)Molar Volume: 123.8 cm3; (15)Polarizability: 18.61×10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 2.309 g/cm3; (18)Flash Point: 162.9 °C; (19)Enthalpy of Vaporization: 62.25 kJ/mol; (20)Boiling Point: 345.7 °C at 760 mmHg; (21)Vapour Pressure: 2.29E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(Br)c(C(=O)O)c1
(2)InChI: InChI=1S/C5H2Br2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
(3)InChIKey: PZBUYFPAASJYSI-UHFFFAOYSA-N