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| CAS No.: | 25016-09-5 |
|---|---|
| Name: | 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H8N2O |
| Molecular Weight: | 124.14 |
| Synonyms: | Pyrazole-5-carboxaldehyde,1,3-dimethyl- (8CI);1,3-Dimethyl-1-pyrazole-5-carboxaldehyde;1,3-Dimethyl-1H-pyrazole-5-carboxaldehyde;1,3-Dimethyl-5-formyl-1H-pyrazole;1,3-Dimethylpyrazole-5-carboxaldehyde;2,5-Dimethyl-2H-pyrazole-3-carboxaldehyde; |
| Density: | 1.114 g/cm3 |
| Melting Point: | 40-42 °C |
| Boiling Point: | 227.739 °C at 760 mmHg |
| Flash Point: | 91.534 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 34.89000 |
| LogP: | 0.54100 |
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Specification
The CAS register number of 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde is 25016-09-5. It also can be called as 1H-Pyrazole-5-carboxaldehyde,1,3-dimethyl- and the IUPAC name about this chemical is 2,5-dimethylpyrazole-3-carbaldehyde. The molecular formula about this chemical is C6H8N2O and molecular weight is 124.14.
Physical properties about 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 20.82; (4)ACD/KOC (pH 7.4): 20.821; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 34.89Å2; (8)Index of Refraction: 1.543; (9)Molar Refractivity: 35.135 cm3; (10)Molar Volume: 111.392 cm3; (11)Polarizability: 13.929x10-24cm3; (12)Surface Tension: 37.537 dyne/cm; (13)Enthalpy of Vaporization: 46.431 kJ/mol; (14)Boiling Point: 227.739 °C at 760 mmHg; (15)Vapour Pressure: 0.076 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. plenty of water and seek medical advice. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(n(n1)C)C=O
(2)InChI: InChI=1/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
(3)InChIKey: JWYFGNVBKRJGTN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
(5)Std. InChIKey: JWYFGNVBKRJGTN-UHFFFAOYSA-N