CAS No.25711-30-2,1,5-Dimethyl-1H-pyrazole-4-carbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25711-30-2
Name:	1,5-Dimethyl-1H-pyrazole-4-carbaldehyde

Formula:	C₆H₈N₂O
Molecular Weight:	124.142
Synonyms:	Pyrazole-4-carboxaldehyde,1,5-dimethyl- (8CI);1,5-Dimethyl-4-formylpyrazole;1,5-Dimethylpyrazole-4-carboxaldehyde;4-Formyl-1,5-dimethylpyrazole;
Density:	1.114 g/cm³
Melting Point:	60℃
Boiling Point:	228.968 °C at 760 mmHg
Flash Point:	92.277 °C
Hazard Symbols:	Xi
PSA:	34.89000
LogP:	0.54100

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Specification

This chemical is called 1,5-Dimethyl-1H-pyrazole-4-carbaldehyde, and it can also be named as 1H-Pyrazole-4-carboxaldehyde, 1,5-dimethyl-. With the molecular formula of C₆H₈N₂O, its molecular weight is 124.14. The CAS registry number of this chemical is 25711-30-2. Additionally, its product categories are Building Blocks; Pyrazole.

Other characteristics of the 1,5-Dimethyl-1H-pyrazole-4-carbaldehyde can be summarised as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.33; (8)ACD/KOC (pH 7.4): 25.33; (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: 1.543; (14)Molar Refractivity: 35.13 cm³; (15)Molar Volume: 111.3 cm³; (16)Polarizability: 13.92×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 92.3 °C; (20)Enthalpy of Vaporization: 46.56 kJ/mol; (21)Boiling Point: 229 °C at 760 mmHg; (22)Vapour Pressure: 0.0713 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1cnn(c1C)C
2.InChI: InChI=1/C6H8N2O/c1-5-6(4-9)3-7-8(5)2/h3-4H,1-2H3
3.InChIKey: SGNRGSSHBKKIJR-UHFFFAOYAJ