5-Isoxazolecarboxaldehyde,3-bromo- supplier

Name
3-BROMO-5-ISOXAZOLECARBOXALDEHYDE
EINECS
CAS No. 220780-57-4
Article Data3
CAS DataBase
Density 1.886 g/cm³
Solubility
Melting Point
Formula C₄H₂BrNO₂
Boiling Point 276.4 °C at 760 mmHg
Molecular Weight 175.969
Flash Point 121 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-isoxazolecarboxaldehyde;
PSA 43.10000
LogP 1.24960

5-Isoxazolecarboxaldehyde,3-bromo- Specification

The 5-Isoxazolecarboxaldehyde,3-bromo-, with the CAS registry number of 220780-57-4, is also known as 3-Bromo-5-isoxazolecarboxaldehyde. This chemical's molecular formula is C₄H₂BrNO₂ and molecular weight is 175.96818. What's more, its systematic name is 3-Bromo-1,2-oxazole-5-carbaldehyde.

Physical properties about the 5-Isoxazolecarboxaldehyde,3-bromo- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.11; (8)ACD/KOC (pH 7.4): 38.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 31.08 cm³; (15)Molar Volume: 93.3 cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.886 g/cm³; (18)Flash Point: 121 °C; (19)Enthalpy of Vaporization: 51.49 kJ/mol; (20)Boiling Point: 276.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0048 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(onc1Br)C=O
(2) InChI: InChI=1/C4H2BrNO2/c5-4-1-3(2-7)8-6-4/h1-2H
(3) InChIKey: RXGNLDFDLLMAJZ-UHFFFAOYAG

Product Name

3-BROMO-5-ISOXAZOLECARBOXALDEHYDE

5-Isoxazolecarboxaldehyde,3-bromo- Specification

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