CAS No.27258-32-8,1-Methyl-1H-pyrazole-3-carbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27258-32-8
Name:	1-Methyl-1H-pyrazole-3-carbaldehyde
Article Data:	8

Formula:	C₅H₆N₂O
Molecular Weight:	110.115
Synonyms:	Pyrazole-3-carboxaldehyde,1-methyl- (8CI);1-Methyl-3-pyrazolecarboxaldehyde;1-methyl-1H-pyrazole-3-carbaldehyde;1-methyl-1H-pyrazole-3-carbaldehyde;
Density:	1.14 g/cm³
Boiling Point:	218.9 °C at 760 mmHg
Flash Point:	86.2 °C
PSA:	34.89000
LogP:	0.23260

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Specification

The 1H-1,2,4-Triazole-3-methanol,5-amino-, with the CAS registry number 27258-32-8, has the systematic name of 1-methyl-1H-pyrazole-3-carbaldehyde. It belongs to the following product categories of Building Blocks and Pyrazole. And the molecular formula of the chemical is C₅H₆N₂O.

The characteristics of 1H-Pyrazole-3-carboxaldehyde,1-methyl- are as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.23; (8)ACD/KOC (pH 7.4): 14.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 30.71 cm³; (15)Molar Volume: 96 cm³; (16)Polarizability: 12.17×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 86.2 °C; (20)Enthalpy of Vaporization: 45.53 kJ/mol; (21)Boiling Point: 218.9 °C at 760 mmHg; (22)Vapour Pressure: 0.123 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1nn(cc1)C
(2)InChI: InChI=1/C5H6N2O/c1-7-3-2-5(4-8)6-7/h2-4H,1H3
(3)InChIKey: QUYJEYSRBCLJIZ-UHFFFAOYAN