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Name |
1-(2-Chloroethyl)-1H-1,2,4-triazole |
EINECS | N/A |
CAS No. | 3236-66-6 | Density | 1.34 g/cm3 |
PSA | 30.71000 | LogP | 0.51690 |
Solubility | N/A | Melting Point |
161-162 °C |
Formula | C4H6ClN3 | Boiling Point | 252.8 °C at 760 mmHg |
Molecular Weight | 131.56 | Flash Point | 106.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
CHEMBRDG-BB 4010918;1H-1,2,4-TRIAZOLE, 1-(2-CHLOROETHYL)-;1-(2-CHLOROETHYL)-1H-1,2,4-TRIAZOLE;1-(2-chloroethyl)-1H-1,2,4-triazole(SALTDATA: FREE) |
Article Data | 8 |
The CAS register number of 1-(2-Chloroethyl)-1H-1,2,4-triazole is 3236-66-6. It also can be called as 1H-1,2,4-Triazole,1-(2-chloroethyl)- and the IUPAC name about this chemical is 1-(2-chloroethyl)-1,2,4-triazole. The molecular formula about this chemical is C4H6ClN3 and molecular weight is 131.56.
Physical properties about 1-(2-Chloroethyl)-1H-1,2,4-triazole are: (1)ACD/LogP: -0.26; (2)ACD/LogD (pH 5.5): -0.26; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.12; (7)ACD/KOC (pH 7.4): 17.15; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 30.71Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 33.09 cm3; (13)Molar Volume: 97.5 cm3; (14)Polarizability: 13.11x10-24cm3; (15)Surface Tension: 47.7 dyne/cm; (16)Enthalpy of Vaporization: 49.01 kJ/mol; (17)Boiling Point: 252.8 °C at 760 mmHg; (18)Vapour Pressure: 0.019 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCn1ncnc1
(2)InChI: InChI=1/C4H6ClN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
(3)InChIKey: UBSIYQGXRKNEJP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H6ClN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
(5)Std. InChIKey: UBSIYQGXRKNEJP-UHFFFAOYSA-N