5-Amino-2-methyl-4-oxazolecarbonitrile supplier

Name
3-AMINOBENZOTRIFLUORIDE
EINECS 202-643-4
CAS No. 5098-16-8
Article Data5
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 5-6oC(lit.)
Formula C₅H₅N₃O
Boiling Point 305.5 °C at 760 mmHg
Molecular Weight 123.114
Flash Point 138.6 °C
Transport Information
Appearance
Safety 36/37/39-45
Risk Codes 22-24-26-33
Molecular Structure
Hazard Symbols T+
Synonyms 5-Amino-2-methyl-1,3-oxazole-4-carbonitrile;NSC 133684;5-Amino-2-methyloxazole-4-carbonitrile;
PSA 75.84000
LogP 1.01808

5-Amino-2-methyl-4-oxazolecarbonitrile Specification

The 4-Oxazolecarbonitrile,5-amino-2-methyl-, with the CAS registry number 5098-16-8, has the systematic name of 5-amino-2-methyl-1,3-oxazole-4-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₅N₃O.

The characteristics of 4-Oxazolecarbonitrile,5-amino-2-methyl- are as followings: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 53.06 Å²; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 29.84 cm³; (9)Molar Volume: 94.5 cm³; (10)Polarizability: 11.83×10^-24cm³; (11)Surface Tension: 66.5 dyne/cm; (12)Density: 1.3 g/cm³; (13)Flash Point: 138.6 °C; (14)Enthalpy of Vaporization: 54.6 kJ/mol; (15)Boiling Point: 305.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000817 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1nc(oc1N)C
(2)InChI: InChI=1/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
(3)InChIKey: OVIXKBXQNCJGDG-UHFFFAOYAO

Product Name

3-AMINOBENZOTRIFLUORIDE

5-Amino-2-methyl-4-oxazolecarbonitrile Specification

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