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Name |
2-Amino-4-bromo-5-chlorobenzoic acid |
EINECS | 424-700-4 |
CAS No. | 150812-32-1 | Density | 1.892 g/cm3 |
PSA | 63.32000 | LogP | 2.96410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrClNO2 | Boiling Point | 385.726 °C at 760 mmHg |
Molecular Weight | 250.479 | Flash Point | 187.081 °C |
Transport Information | N/A | Appearance | Tan solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-5-chloroanthranilicacid; |
Article Data | 3 |
The 2-Amino-4-bromo-5-chlorobenzoic acid is an organic compound with the formula C7H5BrClNO2. The IUPAC name of this chemical is 2-amino-4-bromo-5-chlorobenzoic acid. With the CAS registry number 150812-32-1, it is also named as 4-Bromo-5-chloroanthranilic acid. The product's categories are Multisubstituted Benzene; Chemical Amines; Amines; Aromatics. Besides, it is a tan solid.
Physical properties about 2-Amino-4-bromo-5-chlorobenzoic acid are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 2.062; (3)ACD/LogD (pH 7.4): 0.687; (4)ACD/BCF (pH 5.5): 8.874; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 57.469; (7)ACD/KOC (pH 7.4): 2.421; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å2; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 50.004 cm3; (14)Molar Volume: 132.379 cm3; (15)Polarizability: 19.823×10-24cm3; (16)Surface Tension: 69.049 dyne/cm; (17)Density: 1.892 g/cm3; (18)Flash Point: 187.081 °C; (19)Enthalpy of Vaporization: 66.932 kJ/mol; (20)Boiling Point: 385.726 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1Cl)Br)N)C(=O)O
(2)InChI: InChI=1/C7H5BrClNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
(3)InChIKey: QLUCPCIKLHKGRW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H5BrClNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
(5)Std. InChIKey: QLUCPCIKLHKGRW-UHFFFAOYSA-N