1-(2-Chloroethyl)-1H-1,2,4-triazole supplier

Name
1-(2-Chloroethyl)-1H-1,2,4-triazole
EINECS
CAS No. 3236-66-6
Article Data8
CAS DataBase
Density 1.34 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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)
PSA 30.71000
LogP 0.51690

1-(2-Chloroethyl)-1H-1,2,4-triazole Specification

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 C₄H₆ClN₃and 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

Product Name

1-(2-Chloroethyl)-1H-1,2,4-triazole

1-(2-Chloroethyl)-1H-1,2,4-triazole Specification

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