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CAS No.: | 42237-85-4 |
---|---|
Name: | 3-Amino-5-bromobenzoic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H6BrNO2 |
Molecular Weight: | 216.034 |
Synonyms: | 2-Amino-5-bromobenzoic acid 98%; |
Density: | 1.793 g/cm3 |
Melting Point: | 217-221 °C |
Boiling Point: | 342.4 °C at 760 mmHg |
Flash Point: | 160.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 63.32000 |
LogP: | 2.31070 |
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The 3-Amino-5-bromobenzoic acid, with the CAS registry number 42237-85-4, is also known as 2-Amino-5-bromobenzoic acid 98%. It belongs to the product categories of Aromatic Amino Acids Carbonyl Compounds; C7; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C7H6BrNO2 and molecular weight is 216.032. Its systematic name is called 2-amino-5-bromobenzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause damage to health. It is harmful if swallowed.
Physical properties of 3-Amino-5-bromobenzoic acid: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1.66; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.64; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 45.1 cm3; (13)Molar Volume: 120.4 cm3; (14)Surface Tension: 67.9 dyne/cm; (15)Density: 1.793 g/cm3; (16)Flash Point: 160.9 °C; (17)Enthalpy of Vaporization: 61.86 kJ/mol; (18)Boiling Point: 342.4 °C at 760 mmHg; (19)Vapour Pressure: 2.91E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C(=O)O)c(N)cc1
(2)InChI: InChI=1/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
(3)InChIKey: CUKXRHLWPSBCTI-UHFFFAOYAQ