3-Thiophenecarboxylic acid, 2,5-dibromo- supplier

Name
2,5-dibromothiophene-3-carboxylic acid,Canonical
EINECS
CAS No. 7311-70-8
Article Data18
CAS DataBase
Density 2.309 g/cm³
Solubility
Melting Point 177.0 to 181.0 °C
Formula C₅H₂Br₂O₂S
Boiling Point 345.7 °C at 760 mmHg
Molecular Weight 285.944
Flash Point 162.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dibromothiophene-3-carboxylic acid;3-Carboxy-2,5-dibromothiophene;
PSA 65.54000
LogP 2.97130

3-Thiophenecarboxylic acid, 2,5-dibromo- 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

Product Name

2,5-dibromothiophene-3-carboxylic acid,Canonical

3-Thiophenecarboxylic acid, 2,5-dibromo- Specification

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