Methyl 4,5-dibromothiophene-2-carboxylate supplier

Name
METHYL4,5-DIBROMOTHIOPHENE-2-CARBOXYLATE
EINECS
CAS No. 62224-24-2
Article Data8
CAS DataBase
Density 2.01 g/cm³
Solubility
Melting Point 80-82 °C
Formula C₆H₄Br₂O₂S
Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 299.971
Flash Point 138.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4,5-dibromothiophene-2-carboxylate;4,5-Dibromo-thiophene-2-carboxylic acid methyl ester;
PSA 54.54000
LogP 3.05970

Methyl 4,5-dibromothiophene-2-carboxylate Specification

The 2-Thiophenecarboxylic acid, 4,5-dibromo-, methyl ester, with the CAS registry number 62224-24-2, is also known as 4,5-Dibromo-thiophene-2-carboxylic acid methyl ester. This chemical's molecular formula is C₆H₄Br₂O₂S and molecular weight is 299.97. What's more, its systematic name is methyl 4,5-dibromothiophene-2-carboxylate.

Physical properties of 2-Thiophenecarboxylic acid, 4,5-dibromo-, methyl ester are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.64; (6)ACD/BCF (pH 7.4): 124.64; (7)ACD/KOC (pH 5.5): 1100.72; (8)ACD/KOC (pH 7.4): 1100.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 51.79 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 2.01 g/cm³; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 54.55 kJ/mol; (21)Boiling Point: 305.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00084 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=C(S1)Br)Br
(2)InChI: InChI=1S/C6H4Br2O2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
(3)InChIKey: URPMSPAEAVFKCO-UHFFFAOYSA-N

Product Name

METHYL4,5-DIBROMOTHIOPHENE-2-CARBOXYLATE

Methyl 4,5-dibromothiophene-2-carboxylate Specification

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