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Name |
Benzoicacid, 2-bromo-3-chloro- |
EINECS | N/A |
CAS No. | 56961-26-3 | Density | 1.809 g/cm3 |
PSA | 37.30000 | LogP | 2.80070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4BrClO2 | Boiling Point | 330.4 °C at 760 mmHg |
Molecular Weight | 235.465 | Flash Point | 153.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-3-chlorobenzoic acid;Bromochlorobenzoic acid; |
Article Data | 7 |
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