3,5-Dibromothiophene-2-carboxylic acid supplier

Name
4,5-DIBROMOTHIOPHENE-2-CARBOXYLIC ACID, 98+%
EINECS
CAS No. 7311-68-4
Article Data7
CAS DataBase
Density 2.309 g/cm³
Solubility
Melting Point 215-220°C
Formula C₅H₂Br₂O₂S
Boiling Point 350.015 °C at 760 mmHg
Molecular Weight 285.944
Flash Point 165.484 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4,5-Dibromo-thiophen-2-carboxylic acid;
PSA 65.54000
LogP 2.97130

3,5-Dibromothiophene-2-carboxylic acid Specification

The 2-Thiophenecarboxylic acid, 3,5-dibromo-, with the CAS registry number 7311-68-4, is also known as 4,5-Dibromo-thiophen-2-carboxylic acid. This chemical's molecular formula is C₅H₂Br₂O₂S and molecular weight is 285.94. What's more, both its IUPAC name and systematic name are the same which is called 3,5-Dibromothiophene-2-carboxylic acid.

Physical properties about 2-Thiophenecarboxylic acid, 3,5-dibromo- are: (1)ACD/LogP: 2.628; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -0.50; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.06; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.54 Å²; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 46.948 cm³; (15)Molar Volume: 123.812 cm³; (16)Polarizability: 18.611×10^-24cm³; (17)Surface Tension: 66.49 dyne/cm; (18)Density: 2.309 g/cm³; (19)Flash Point: 165.484 °C; (20)Enthalpy of Vaporization: 62.744 kJ/mol; (21)Boiling Point: 350.015 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1sc(Br)cc1Br
(2) InChI: InChI=1S/C5H2Br2O2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9)
(3) InChIKey: YWOSIPRAZKDEIL-UHFFFAOYSA-N

Product Name

4,5-DIBROMOTHIOPHENE-2-CARBOXYLIC ACID, 98+%

3,5-Dibromothiophene-2-carboxylic acid Specification

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