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1H-Pyrazole-4-carboxaldehyde,1,3-dimethyl-5-phenoxy-, oxime (110035-28-4)

Identification
Name:1H-Pyrazole-4-carboxaldehyde,1,3-dimethyl-5-phenoxy-, oxime
Synonyms:1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehydeoxime;1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carboxaldehyde oxime;
CAS:110035-28-4
Molecular Formula: C12H13N3O2
Molecular Weight: 231.25
Molecular Structure: (C12H13N3O2) 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehydeoxime;1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carboxal...
Properties
Melting Point: 133-134 ºC
Density:1.21
Specification:

The CAS register number of Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime is 110035-28-4. It also can be called as 1H-Pyrazole-4-carboxaldehyde,1,3-dimethyl-5-phenoxy-, oxime and the systematic name about this chemical is 1-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)-N-hydroxymethanimine. The molecular formula about this chemical is C12H13N3O2 and molecular weight is 231.25. 

Physical properties about Pyrazole-1,3-dimethyl-5-phenoxy-4-carboxaldehyde oxime are: (1)ACD/LogP: 2.12; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 48.64Å2; (6)Index of Refraction: 1.592; (7)Molar Refractivity: 64.68 cm3; (8)Molar Volume: 191 cm3; (9)Polarizability: 25.64x10-24cm3; (10)Surface Tension: 43.8 dyne/cm; (11)Enthalpy of Vaporization: 63.84 kJ/mol; (12)Boiling Point: 359.4 °C at 760 mmHg; (13)Vapour Pressure: 8.59E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)c2c(c(nn2C)C)C=NO
(2)InChI: InChI=1/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3
(3)InChIKey: AKGVMZJNWXUJBJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3
(5)Std. InChIKey: AKGVMZJNWXUJBJ-UHFFFAOYSA-N

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