3-Isoxazolamine, 4-bromo-5-methyl- supplier

Name
3-AMINO-4-BROMO-5-METHYLISOXAZOLE
EINECS
CAS No. 5819-40-9
Article Data10
CAS DataBase
Density 1.766 g/cm³
Solubility
Melting Point 73-75°C
Formula C₄H₅BrN₂O
Boiling Point 277.6 °C at 760 mmHg
Molecular Weight 177
Flash Point 121.7 °C
Transport Information
Appearance
Safety 26-36/37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Isoxazole, 3-amino-4-bromo-5-methyl- (7CI,8CI);3-Amino-4-bromo-5-methylisoxazole;4-Bromo-5-methylisoxazol-3-ylamine;4-Bromo-5-methylisoxazole-3-amine;
PSA 52.05000
LogP 1.90890

3-Isoxazolamine, 4-bromo-5-methyl- Specification

This chemical is called 3-Isoxazolamine, 4-bromo-5-methyl-, and its systematic name is 4-Bromo-5-methylisoxazol-3-amine. With the molecular formula of C₄H₅BrN₂O, its molecular weight is 177. The CAS registry number of this chemical is 5819-40-9.

Other characteristics of the 3-Isoxazolamine, 4-bromo-5-methyl- can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.45; (8)ACD/KOC (pH 7.4): 45.45; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.27 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 33.39 cm³; (15)Molar Volume: 100.1 cm³; (16)Polarizability: 13.23×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.766 g/cm³; (19)Flash Point: 121.7 °C; (20)Enthalpy of Vaporization: 51.62 kJ/mol; (21)Boiling Point: 277.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00448 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1c(onc1N)C
2.InChI: InChI=1/C4H5BrN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
3.InChIKey: JEZOZNWEHSNXPQ-UHFFFAOYAD

Product Name

3-AMINO-4-BROMO-5-METHYLISOXAZOLE

3-Isoxazolamine, 4-bromo-5-methyl- Specification

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