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4,5-Dibromothiophene-2-carboxylic acid

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Name

4,5-Dibromothiophene-2-carboxylic acid

EINECS 228-683-2
CAS No. 6324-10-3 Density 2.309 g/cm3
PSA 65.54000 LogP 2.97130
Solubility N/A Melting Point 227-228°C
Formula C5H2Br2O2S Boiling Point 367.1 °C at 760 mmHg
Molecular Weight 285.944 Flash Point 175.8 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 6324-10-3 (4,5-DIBROMOTHIOPHENE-2-CARBOXYLIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

2,3-Dibromo-5-thiophenecarboxylicacid;4,5-Dibromo-2-thiophenecarboxylic acid;NSC 30091;

Article Data 9

4,5-Dibromothiophene-2-carboxylic acid Specification

The 4,5-Dibromothiophene-2-carboxylic acid with the CAS number 6324-10-3 is also called 2-Thiophenecarboxylicacid, 4,5-dibromo-. Its molecular formula is C5H2Br2O2S. The EINECS registry number is 228-683-2. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Thiophenes & Benzothiophenes; (3)Carboxylic Acids.

The properties of the 4,5-Dibromothiophene-2-carboxylic acid are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.93; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 46.94 cm3; (15)Molar Volume: 123.8 cm3; (16)Polarizability: 18.61×10-24cm3; (17)Surface Tension: 66.4 dyne/cm; (18)Enthalpy of Vaporization: 64.73 kJ/mol; (19)Vapour Pressure: 4.91×10-6 mmHg at 25°C.

Preparation: This chemical can be prepared by thiophene-2-carboxylic acid. This reaction needs reagent bromine.

Uses: This chemical can prepare 4-bromo-thiophene-2-carboxylic acid. This reaction needs reagent Zn, AcOH and solvent H2O at heating condition. The reaction time is 15 min. The yield is 90%.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(Br)c(Br)c1
(2)InChI: InChI=1/C5H2Br2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
(3)InChIKey: USFXRYVNRUMABJ-UHFFFAOYAN

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