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51649-80-0

Basic Information
CAS No.: 51649-80-0
Name: 5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYL&
Article Data: 13
Molecular Structure:
Molecular Structure of 51649-80-0 (5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYL&)
Formula: C10H9N3O2
Molecular Weight: 203.2
Synonyms: 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-;5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid;
Density: 1.41 g/cm3
Melting Point: 183-188 °C (dec.)(lit.)
Boiling Point: 433.8 °C at 760 mmHg
Flash Point: 216.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 26-36/37
PSA: 81.14000
LogP: 1.73390
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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