Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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