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CAS No.: | 196194-99-7 |
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Name: | 2-Amino-4-nitro-5-methoxybenzoic Acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H8N2O5 |
Molecular Weight: | 212.162 |
Synonyms: | 2-Amino-5-methoxy-4-nitrobenzoicacid; |
Density: | 1.514 g/cm3 |
Boiling Point: | 470.8 °C at 760 mmHg |
Flash Point: | 238.5 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 118.37000 |
LogP: | 1.98820 |
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The Benzoic acid,2-amino-5-methoxy-4-nitro- is the organic compound with the formula C8H8N2O5. It belongs to the product categories of Amines and Anilines; Amino Acids and Derivatives. With the CAS registry number 196194-99-7, its systematic name is 2-amino-5-methoxy-4-nitrobenzoic acid.
Physical properties of Benzoic acid,2-amino-5-methoxy-4-nitro-: (1)ACD/LogP: 1.79; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.32; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.642; (10)Molar Refractivity: 50.64 cm3; (11)Molar Volume: 140 cm3; (12)Surface Tension: 71.5 dyne/cm; (13)Density: 1.514 g/cm3; (14)Flash Point: 238.5 °C; (15)Enthalpy of Vaporization: 77.27 kJ/mol; (16)Boiling Point: 470.8 °C at 760 mmHg; (17)Vapour Pressure: 1.14E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(N)cc1N(=O)=O)C(O)=O
(2)InChI: InChI=1/C8H8N2O5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,9H2,1H3,(H,11,12)
(3)InChIKey: SDGOTDAQMBDEOT-UHFFFAOYAR