4H-1,2,4-Triazole-4-propanol supplier

Name
4H-1,2,4-Triazole-4-propanol
EINECS
CAS No. 27106-94-1
Density 1.24g/cm³
Solubility
Melting Point 58-60°C
Formula C₅H₉N₃O
Boiling Point 310.3 °C at 760 mmHg
Molecular Weight 127.14
Flash Point 141.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3'-Hydroxypropyl)-1,2,4-triazole;
PSA 50.94000
LogP -0.33950

4H-1,2,4-Triazole-4-propanol Specification

The 4H-1,2,4-Triazole-4-propanol, with CAS registry number 27106-94-1, has the systematic name of 3-(4H-1,2,4-triazol-4-yl)propan-1-ol. Besides this, it is also called 4-(3-Hydroxypropyl)-4H-1,2,4-triazole. And the chemical formula of this chemical is C₅H₉N₃O.

Physical properties of 4H-1,2,4-Triazole-4-propanol: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.8; (5)ACD/KOC (pH 7.4): 4.83; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 50.94 Å²; (10)Index of Refraction: 1.581; (11)Molar Refractivity: 33.95 cm³; (12)Molar Volume: 101.7 cm³; (13)Polarizability: 13.45×10^-24cm³; (14)Surface Tension: 50.9 dyne/cm; (15)Density: 1.24 g/cm³; (16)Flash Point: 141.4 °C; (17)Enthalpy of Vaporization: 58.19 kJ/mol; (18)Boiling Point: 310.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000261 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCn1cnnc1
(2)InChI: InChI=1/C5H9N3O/c9-3-1-2-8-4-6-7-5-8/h4-5,9H,1-3H2
(3)InChIKey: PSFQZUIYYGSLQU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9N3O/c9-3-1-2-8-4-6-7-5-8/h4-5,9H,1-3H2
(5)Std. InChIKey: PSFQZUIYYGSLQU-UHFFFAOYSA-N

Product Name

4H-1,2,4-Triazole-4-propanol

4H-1,2,4-Triazole-4-propanol Specification

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