1H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- supplier

Name
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 883-38-5
Article Data8
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 62-64°C
Formula C₁₁H₉ClN₂O
Boiling Point 372.5 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 179.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- (7CI,8CI);5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde;
PSA 34.89000
LogP 2.55300

1H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- Specification

This chemical is called 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-phenyl-, and its systematic name is 5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde. With the molecular formula of C₁₁H₉ClN₂O, its molecular weight is 220.65. The CAS registry number of this chemical is 883-38-5.

Other characteristics of the 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-phenyl- can be summarised as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.71; (6)ACD/BCF (pH 7.4): 11.71; (7)ACD/KOC (pH 5.5): 202.56; (8)ACD/KOC (pH 7.4): 202.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 60.41 cm³; (15)Molar Volume: 173.8 cm³; (16)Polarizability: 23.95×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 179.1 °C; (20)Enthalpy of Vaporization: 61.96 kJ/mol; (21)Boiling Point: 372.5 °C at 760 mmHg; (22)Vapour Pressure: 9.59E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(nn(c1Cl)C)c2ccccc2
2.InChI: InChI=1/C11H9ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-7H,1H3
3.InChIKey: LIUUTPYWKXCVCS-UHFFFAOYAI

Product Name

5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE

1H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- Specification

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