4-Bromothiophene-2-acetic acid supplier

Name
4-Bromothiophene-2-acetic acid
EINECS
CAS No. 161942-89-8
Article Data4
CAS DataBase
Density 1.804 g/cm³
Solubility
Melting Point 87-92℃
Formula C₆H₅BrO₂S
Boiling Point 331.2 °C at 760 mmHg
Molecular Weight 221.075
Flash Point 154.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Thiopheneacetic acid, 4-bromo-;
PSA 65.54000
LogP 2.13770

4-Bromothiophene-2-acetic acid Specification

The 4-Bromothiophene-2-acetic acid, with the CAS registry number of 161942-89-8, is also known as 2-Thiopheneacetic acid, 4-bromo-. Its molecular formula is C₆H₅BrO₂S and molecular weight is 221.0717. What's more, its systematic name is (4-Bromothiophen-2-yl)acetic acid.

Physical properties about the 4-Bromothiophene-2-acetic acid are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 65.54 Å²; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 43.44 cm³; (14)Molar Volume: 122.5 cm³; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.804 g/cm³; (17)Flash Point: 154.1 °C; (18)Enthalpy of Vaporization: 60.57 kJ/mol; (19)Boiling Point: 331.2 °C at 760 mmHg; (20)Vapour Pressure: 6.33E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1cc(Br)cs1
(2) InChI: InChI=1/C6H5BrO2S/c7-4-1-5(10-3-4)2-6(8)9/h1,3H,2H2,(H,8,9)
(3) InChIKey: RQLBAXZWESSFHI-UHFFFAOYAK

Product Name

4-Bromothiophene-2-acetic acid

4-Bromothiophene-2-acetic acid Specification

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