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CAS No.: | 84387-62-2 |
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Name: | 1-CHLOROMETHYL-1H-1,2,4-TRIAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C3H4ClN3 |
Molecular Weight: | 117.538 |
Synonyms: | 1-Chloromethyl-1,2,4-triazole;1-(Chloromethyl)-1H-1,2,4-triazole; |
Density: | 1.44g/cm3 |
Boiling Point: | 237.6 °C at 760 mmHg |
Flash Point: | 97.5 °C |
PSA: | 30.71000 |
LogP: | 0.47440 |
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The 1H-1,2,4-Triazole,1-(chloromethyl)-, with the CAS registry number 84387-62-2, is also known as 1-Chloromethyl-1,2,4-triazole. This chemical's molecular formula is C3H4ClN3 and molecular weight is 117.54. What's more, its systematic name is 1-(Chloromethyl)-1H-1,2,4-triazole.
Physical properties about 1H-1,2,4-Triazole,1-(chloromethyl)- are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 30.71 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 28.48 cm3; (9)Molar Volume: 81.3 cm3; (10)Surface Tension: 51.4 dyne/cm; (11)Density: 1.44 g/cm3; (12)Flash Point: 97.5 °C; (13)Enthalpy of Vaporization: 47.44 kJ/mol; (14)Boiling Point: 237.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0445 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCn1ncnc1
(2) InChI: InChI=1/C3H4ClN3/c4-1-7-3-5-2-6-7/h2-3H,1H2
(3) InChIKey: PXNMFQMREJNQQT-UHFFFAOYAZ