1H-Pyrazole-4-carboxaldehyde,1-ethyl-3,5-dimethyl- supplier

Name
1H-Pyrazole-4-carboxaldehyde, 1-ethyl-3,5-dimethyl- (9CI)
EINECS
CAS No. 701911-46-8
Article Data2
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O
Boiling Point 255 °C at 760 mmHg
Molecular Weight 152.196
Flash Point 108 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxaldehyde;3,5-Dimethyl-1-ethyl-1H-pyrazole-4-carboxaldehyde;1H-Pyrazole-4-carboxaldehyde, 1-ethyl-3,5-dimethyl- (9CI);
PSA 34.89000
LogP 1.33230

1H-Pyrazole-4-carboxaldehyde,1-ethyl-3,5-dimethyl- Specification

The 1H-Pyrazole-4-carboxaldehyde,1-ethyl-3,5-dimethyl-, with the CAS registry number 701911-46-8, is also known as 3,5-Dimethyl-1-ethyl-1H-pyrazole-4-carboxaldehyde. It belongs to the product category of Aldehyde. This chemical's molecular formula is C₈H₁₂N₂O and molecular weight is 152.19. What's more, its systematic name is 1-ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde.

Physical properties of 1H-Pyrazole-4-carboxaldehyde,1-ethyl-3,5-dimethyl- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.68; (8)ACD/KOC (pH 7.4): 87.69; (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: 1.53; (14)Molar Refractivity: 44.16 cm³; (15)Molar Volume: 142.8 cm³; (16)Polarizability: 17.5×10^-24cm³; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 108 °C; (20)Enthalpy of Vaporization: 49.25 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.0167 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(nn(c1C)CC)C
(2)Std. InChI: InChI=1S/C8H12N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h5H,4H2,1-3H3
(3)Std. InChIKey: NDKOKWXOWTVYJR-UHFFFAOYSA-N

Product Name

1H-Pyrazole-4-carboxaldehyde, 1-ethyl-3,5-dimethyl- (9CI)

1H-Pyrazole-4-carboxaldehyde,1-ethyl-3,5-dimethyl- Specification

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