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Name |
1,4-Benzenedicarboxylic acid, 2-amino-5-chloro- |
EINECS | N/A |
CAS No. | 32888-88-3 | Density | 1.674 g/cm3 |
PSA | 100.62000 | LogP | 1.89980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6ClNO4 | Boiling Point | 458 °C at 760 mmHg |
Molecular Weight | 215.593 | Flash Point | 230.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-chloro-1,4-benzenedicarboxylicacid;2-Amino-5-chlorobenzene-1,4-dicarboxylic acid; |
Article Data | 3 |
The 1,4-Benzenedicarboxylic acid, 2-amino-5-chloro-, with the CAS registry number 32888-88-3, is also known as 2-Amino-5-chloro-1,4-benzenedicarboxylicacid. This chemical's molecular formula is C8H6ClNO4 and molecular weight is 215.59. What's more, its systematic name is 2-amino-5-chlorobenzene-1,4-dicarboxylic acid.
Physical properties of 1,4-Benzenedicarboxylic acid, 2-amino-5-chloro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 49.24 cm3; (15)Molar Volume: 128.7 cm3; (16)Polarizability: 19.52×10-24cm3; (17)Surface Tension: 87 dyne/cm; (18)Density: 1.674 g/cm3; (19)Flash Point: 230.8 °C; (20)Enthalpy of Vaporization: 75.68 kJ/mol; (21)Boiling Point: 458 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(c(cc1Cl)C(=O)O)N
(2)InChI: InChI=1S/C8H6ClNO4/c9-5-1-4(8(13)14)6(10)2-3(5)7(11)12/h1-2H,10H2,(H,11,12)(H,13,14)
(3)InChIKey: QGFBVADCOZMDHS-UHFFFAOYSA-N