1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-propyl- supplier

Name
1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
EINECS
CAS No. 175137-15-2
Article Data1
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃ClN₂O
Boiling Point 375.2 °C at 760 mmHg
Molecular Weight 248.712
Flash Point 180.7 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
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;
PSA 34.89000
LogP 3.20380

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-propyl- 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

Product Name

1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-propyl- Specification

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