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| CAS No.: | 56961-26-3 |
|---|---|
| Name: | 2-Bromo-3-chlorobenzoicacid |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H4BrClO2 |
| Molecular Weight: | 235.465 |
| Synonyms: | 2-Bromo-3-chlorobenzoic acid;Bromochlorobenzoic acid; |
| Density: | 1.809 g/cm3 |
| Boiling Point: | 330.4 °C at 760 mmHg |
| Flash Point: | 153.6 °C |
| PSA: | 37.30000 |
| LogP: | 2.80070 |
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- Total:23 Page 1 of 1 1
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Specification
The Benzoicacid, 2-bromo-3-chloro-, with the CAS registry number 56961-26-3, is also known as Bromochlorobenzoic acid. This chemical's molecular formula is C7H4BrClO2 and molecular weight is 235.46. What's more, its systematic name is 2-Bromo-3-chlorobenzoic acid.
Physical properties of Benzoicacid, 2-bromo-3-chloro- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.85; (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: 26.3 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.76 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 18.14×10-24 cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.809 g/cm3; (19)Flash Point: 153.6 °C; (20)Enthalpy of Vaporization: 60.48 kJ/mol; (21)Boiling Point: 330.4 °C at 760 mmHg; (22)Vapour Pressure: 6.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(C(=O)O)c1Br
(2)InChI: InChI=1/C7H4BrClO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
(3)InChIKey: SITHNMNGOHVILG-UHFFFAOYSA-N