Ethyl 3-bromoisoxazole-5-carboxylate supplier

Name
Ethyl 3-bromoisoxazole-5-carboxylate
EINECS
CAS No. 105174-97-8
Article Data4
CAS DataBase
Density 1.617 g/cm³
Solubility
Melting Point
Formula C₆H₆BrNO₃
Boiling Point 279.134 °C at 760 mmHg
Molecular Weight 220.023
Flash Point 122.616 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-(ethoxycarbonyl)isoxazole;
PSA 52.33000
LogP 1.61380

Ethyl 3-bromoisoxazole-5-carboxylate Specification

The Ethyl 3-bromoisoxazole-5-carboxylate is an organic compound with the formula C₆H₆BrNO₃. The IUPAC name of this chemical is Ethyl 3-bromo-1,2-oxazole-5-carboxylate. With the CAS registry number 105174-97-8, it is also named as ethyl 3-bromo-1,2-oxazole-5-carboxylate. The product's categories are Isoxazole Series; API Intermediates.

Physical properties about Ethyl 3-bromoisoxazole-5-carboxylate are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 117; (7)ACD/KOC (pH 7.4): 117; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.33Å²; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 40.74 cm³; (13)Molar Volume: 136.036 cm³; (14)Polarizability: 16.151×10^-24cm³; (15)Surface Tension: 44.085 dyne/cm; (16)Density: 1.617 g/cm³; (17)Flash Point: 122.616 °C; (18)Enthalpy of Vaporization: 51.78 kJ/mol; (19)Boiling Point: 279.134 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(Br)no1
(2)InChI: InChI=1/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3
(3)InChIKey: BLFWSORQDIUISI-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3
(5)Std. InChIKey: BLFWSORQDIUISI-UHFFFAOYSA-N

Product Name

Ethyl 3-bromoisoxazole-5-carboxylate

Ethyl 3-bromoisoxazole-5-carboxylate Specification

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