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| CAS No.: | 93224-85-2 |
|---|---|
| Name: | 2-Bromo-6-chlorobenzoic acid |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C7H4BrClO2 |
| Molecular Weight: | 235.465 |
| Synonyms: | 2-Bromo-6-chlorobenzoicacid;NSC 190301;2-bromo-6-chloro-benzoic acid; |
| Density: | 1.81 g/cm3 |
| Melting Point: | 148-150 °C |
| Boiling Point: | 315.883 °C at 760 mmHg |
| Flash Point: | 144.841 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-45 |
| PSA: | 37.30000 |
| LogP: | 2.80070 |
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Specification
The 2-Bromo-6-chlorobenzoic acid with cas registry number of 93224-85-2 belongs to the following categories: blocks; Bromides; Carboxes; Benzoic acid; API intermediates; Acids & Esters; Bromine Compounds; Chlorine Compounds; Acids and Esters.Both its systematic name and IUPAC name are the same which is called 2-bromo-6-chlorobenzoic acid.
The physical properties about this chemical are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.621; (11)Molar Refractivity: 45.768 cm3; (12)Molar Volume: 130.098 cm3 ; (13)Surface Tension: 55.92 dyne/cm; (14)Density: 1.81 g/cm3; (15)Flash Point: 144.841 °C; (16)Enthalpy of Vaporization: 58.824 kJ/mol; (17)Boiling Point: 315.883 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)Br)C(=O)O)Cl;
(2)InChI: InChI=1/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11);
(3)InChIKey: URGXUQODOUMRFP-UHFFFAOYAR