Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- |
EINECS | N/A |
CAS No. | 883-38-5 | Density | 1.26 g/cm3 |
PSA | 34.89000 | LogP | 2.55300 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazole-4-carboxaldehyde,5-chloro-1-methyl-3-phenyl- (7CI,8CI);5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde; |
Article Data | 8 |
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