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CAS No.: | 166964-09-6 |
---|---|
Name: | 5-AMINO-4-CHLORO-3-METHYLISOXAZOLE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H5ClN2O |
Molecular Weight: | 132.55 |
Synonyms: | 5-Amino-4-chloro-3-methylisoxazole;4-Chloro-3-methyl-5-aminoisoxazole; |
Density: | 1.381 g/cm3 |
Boiling Point: | 245.105 °C at 760 mmHg |
Flash Point: | 102.036 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 52.05000 |
LogP: | 1.79980 |
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This chemical is called 4-Chloro-3-methyl-1,2-oxazol-5-amine. With the molecular formula of C4H5ClN2O, its molecular weight is 132.55. The CAS registry number of this chemical is 166964-09-6.
Other characteristics of the 4-Chloro-3-methyl-1,2-oxazol-5-amine can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 80; (8)ACD/KOC (pH 7.4): 80; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 30.6 cm3; (15)Molar Volume: 95.958 cm3; (16)Polarizability: 12.131×10-24cm3; (17)Surface Tension: 49.673 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 102.036 °C; (20)Enthalpy of Vaporization: 48.218 kJ/mol; (21)Boiling Point: 245.105 °C at 760 mmHg; (22)Vapour Pressure: 0.029 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(onc1C)N
2.InChI: InChI=1/C4H5ClN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3
3.InChIKey: QMZMMMMDQVQCHL-UHFFFAOYAA