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175137-15-2

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Basic Information
CAS No.: 175137-15-2
Name: 1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 175137-15-2 (1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE)
Formula: C13H13ClN2O
Molecular Weight: 248.712
Synonyms: 1-Phenyl-5-(n-propyl)pyrazole-4-carbonyl chloride;1-Phenyl-5-propyl-1H-pyrazole-4-carbonyl chloride;1-Phenyl-5-propyl-4-pyrazolecarbonylchloride;
Density: 1.2 g/cm3
Boiling Point: 375.2 °C at 760 mmHg
Flash Point: 180.7 °C
Hazard Symbols: R34:Causes burns.;
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 34.89000
LogP: 3.20380
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Specification

The 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-propyl-, with the CAS registry number 175137-15-2, has the systematic name of 1-phenyl-5-propyl-1H-pyrazole-4-carbonyl chloride. keep dry and cool at the same time. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H13ClN2O.

The characteristics of 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-propyl- are as followings: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 34.89 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 69.63 cm3; (9)Molar Volume: 206.1 cm3; (10)Polarizability: 27.6×10-24cm3; (11)Surface Tension: 42.9 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 180.7 °C; (14)Enthalpy of Vaporization: 62.27 kJ/mol; (15)Boiling Point: 375.2 °C at 760 mmHg; (16)Vapour Pressure: 7.9E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c2cnn(c1ccccc1)c2CCC
(2)InChI: InChI=1/C13H13ClN2O/c1-2-6-12-11(13(14)17)9-15-16(12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
(3)InChIKey: WGSJOUNRMCLMHQ-UHFFFAOYAS