3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde supplier

Name
3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde
EINECS
CAS No. 350997-67-0
Article Data11
CAS DataBase
Density 1.379 g/cm³
Solubility
Melting Point 142-144 °C(Solv: water (7732-18-5))
Formula C₁₀H₇ClN₂O
Boiling Point 445.021 °C at 760 mmHg
Molecular Weight 206.631
Flash Point 222.941 °C
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Hazard Symbols Xi
Synonyms 3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde,3-(4-chlorophenyl)-;3-(4-Chlorophenyl)pyrazole-4-carbaldehyde;5-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde;Pyrazole-4-carboxaldehyde, 3-(4-chlorophenyl)-;
PSA 45.75000
LogP 2.54260

3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde Specification

The 3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde, with the CAS registry number 350997-67-0, is also known as 1H-Pyrazole-4-carboxaldehyde,3-(4-chlorophenyl)-. This chemical's molecular formula is C₁₀H₇ClN₂O and molecular weight is 206.63. What's more, its systematic name is 5-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde.

Physical properties of 3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.847; (4)ACD/BCF (pH 5.5): 85.829; (5)ACD/BCF (pH 7.4): 85.754; (6)ACD/KOC (pH 5.5): 842.762; (7)ACD/KOC (pH 7.4): 842.029; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.75 Å²; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 55.017 cm³; (14)Molar Volume: 149.881 cm³; (15)Surface Tension: 58.953 dyne/cm; (16)Density: 1.379 g/cm³; (17)Flash Point: 222.941 °C; (18)Enthalpy of Vaporization: 70.294 kJ/mol; (19)Boiling Point: 445.021 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=C(C=NN2)C=O)Cl
(2)InChI: InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
(3)InChIKey: XSFZGZIGMMWQKR-UHFFFAOYSA-N

Product Name

3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde

3-(4-Chloro-phenyl)-1H-pyrazole-4-carbaldehyde Specification

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