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Basic Information
CAS No.: 35261-01-9
Name: 5-AMINO-3-METHYL-4-ISOXAZOLECARBONITRILE
Molecular Structure:
Molecular Structure of 35261-01-9 (5-AMINO-3-METHYL-4-ISOXAZOLECARBONITRILE)
Formula: C5H5 N3 O
Molecular Weight: 123.114
Synonyms: 5-Amino-3-methylisoxazole-4-carbonitrile;5-Amino-4-cyano-3-methylisoxazole; NSC 202613
Density: 1.3 g/cm3
Melting Point: 227-230°C
Boiling Point: 347.4 °C at 760 mmHg
Flash Point: 163.9 °C
Hazard Symbols:
Risk Codes: R36/37/38
Safety: S26-36/37/39
PSA: 75.84000
LogP: 1.01808
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Chemistry

IUPAC Name: 5-amino-3-methyl-1,2-oxazole-4-carbonitrile 
Empirical Formula: C5H5N3O
Molecular Weight: 123.1127g/mol
Structure of 4-Isoxazolecarbonitrile,5-amino-3-methyl- (CAS NO.35261-01-9):

Index of Refraction: 1.544
Molar Refractivity: 29.84 cm3
Molar Volume: 94.5 cm3
Polarizability: 11.83×10-24cm3
Surface Tension: 66.5 dyne/cm
Density: 1.3 g/cm3
Flash Point: 163.9 °C
Enthalpy of Vaporization: 59.16 kJ/mol
Boiling Point: 347.4 °C at 760 mmHg
Vapour Pressure: 5.41E-05 mmHg at 25°C 
Product Categories: Amines;blocks;Carboxes;Oxazoles;Isoxazole series 
Canonical SMILES: CC1=NOC(=C1C#N)N
InChI: InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey: HWUGKLXAHRZZPN-UHFFFAOYSA-N
 

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3439
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

  4-Isoxazolecarbonitrile,5-amino-3-methyl- , its cas register number is 35261-01-9. It also can be called Isoxazole-4-carbonitrile, 5-amino-3-methyl- ; 5-amino-3-methyl-1,2-oxazole-4-carbonitrile ; 5-amino-3-methyl-4-isoxazolecarbonitrile . 4-Isoxazolecarbonitrile,5-amino-3-methyl- (CAS NO.35261-01-9) is irritating to eyes, respiratory system and skin.