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5-Amino-1-phenylpyrazole-4-carboxylic acid

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Name

5-Amino-1-phenylpyrazole-4-carboxylic acid

EINECS N/A
CAS No. 51649-80-0 Density 1.41 g/cm3
PSA 81.14000 LogP 1.73390
Solubility N/A Melting Point 183-188 °C (dec.)(lit.)
Formula C10H9N3O2 Boiling Point 433.8 °C at 760 mmHg
Molecular Weight 203.2 Flash Point 216.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 43
Molecular Structure Molecular Structure of 51649-80-0 (5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYL&) Hazard Symbols IrritantXi
Synonyms

1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-;5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid;

Article Data 13

5-Amino-1-phenylpyrazole-4-carboxylic acid Specification

The 5-Amino-1-phenylpyrazole-4-carboxylic acid, with the CAS registry number 51649-80-0, is also known as 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-. Its molecular formula is C10H9N3O2 and its molecular weight is 203.20. Additionally, its product categories are Building Blocks; Heterocyclic Building Blocks; Pyrazoles.

Other characteristics of the 5-Amino-1-phenylpyrazole-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.33; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 47.36 Å2; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 54.15 cm3; (14)Molar Volume: 143.4 cm3; (15)Polarizability: 21.47×10-24cm3; (16)Surface Tension: 62.4 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 216.2 °C; (19)Enthalpy of Vaporization: 72.71 kJ/mol; (20)Boiling Point: 433.8 °C at 760 mmHg; (21)Vapour Pressure: 2.7E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical may cause sensitization by skin contact. You should wear suitable protective clothing and gloves if you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2cnn(c1ccccc1)c2N
2.InChI: InChI=1/C10H9N3O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,11H2,(H,14,15)
3.InChIKey: BFMGSMOYBHOHGI-UHFFFAOYAW

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