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5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

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Name

5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

EINECS N/A
CAS No. 14678-95-6 Density 1.41 g/cm3
PSA 90.37000 LogP 1.74250
Solubility N/A Melting Point 180-185 °C (dec.)(lit.)
Formula C11H11N3O3 Boiling Point 462.2 °C at 760 mmHg
Molecular Weight 233.227 Flash Point 233.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 43
Molecular Structure Molecular Structure of 14678-95-6 (5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE&) Hazard Symbols IrritantXi
Synonyms

Pyrazole-4-carboxylicacid, 5-amino-1-(p-methoxyphenyl)- (8CI);5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid;

Article Data 1

5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid Specification

The CAS register number of 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid is 14678-95-6. It also can be called as 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methoxyphenyl)- and the systematic name about this chemical is 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid. The molecular formula about this chemical is C11H11N3O3 and molecular weight is 233.22. It belongs to the following product categories, such as Building Blocks; Heterocyclic Building Blocks; Pyrazoles and so on.

Physical properties about 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): -1.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 56.59Å2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 59.97 cm3; (14)Molar Volume: 165.1 cm3; (15)Polarizability: 23.77x10-24cm3; (16)Surface Tension: 56.8 dyne/cm; (17)Enthalpy of Vaporization: 76.2 kJ/mol; (18)Boiling Point: 462.2 °C at 760 mmHg; (19)Vapour Pressure: 2.42E-09 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. When you are using it, wear suitable protective clothing and gloves. 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(c1ccc(OC)cc1)c2N
(2)InChI: InChI=1/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(3)InChIKey: XOMCPZHFKFCRLB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(5)Std. InChIKey: XOMCPZHFKFCRLB-UHFFFAOYSA-N

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