1,2,4-Oxadiazole-5-methanol,3-methyl- supplier

Name
(3-METHYL-1,2,4-OXADIAZOL-5-YL)METHANOL
EINECS
CAS No. 112960-56-2
Article Data6
CAS DataBase
Density 1.285 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂O₂
Boiling Point 248.2 °C at 760 mmHg
Molecular Weight 114.104
Flash Point 103.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-5-hydroxymethyl-1,2,4-oxadiazole;
PSA 59.15000
LogP -0.12970

1,2,4-Oxadiazole-5-methanol,3-methyl- Specification

This chemical is called 1,2,4-Oxadiazole-5-methanol,3-methyl-, and its systematic name is (3-methyl-1,2,4-oxadiazol-5-yl)methanol. With the molecular formula of C₄H₆N₂O₂, its molecular weight is 114.1. The CAS registry number of this chemical is 112960-56-2.

Other characteristics of the 1,2,4-Oxadiazole-5-methanol,3-methyl- can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 6.59; (4)ACD/KOC (pH 7.4): 6.59; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 59.15 Å²; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 26.01 cm³; (11)Molar Volume: 88.7 cm³; (12)Polarizability: 10.31×10^-24cm³; (13)Surface Tension: 54 dyne/cm; (14)Density: 1.285 g/cm³; (15)Flash Point: 103.9 °C; (16)Enthalpy of Vaporization: 51.29 kJ/mol; (17)Boiling Point: 248.2 °C at 760 mmHg; (18)Vapour Pressure: 0.013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OCc1nc(C)no1
2.InChI: InChI=1/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
3.InChIKey: OQKJMIGPYYWVKU-UHFFFAOYAK

Product Name

(3-METHYL-1,2,4-OXADIAZOL-5-YL)METHANOL

1,2,4-Oxadiazole-5-methanol,3-methyl- Specification

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