1,2-Benzisoxazol-3(2H)-one, 5-bromo- supplier

Name
5-bromobenzo[d]isoxazol-3-one
EINECS
CAS No. 65685-50-9
Article Data8
CAS DataBase
Density 1.809 g/cm³
Solubility
Melting Point 202-203 °C
Formula C₇H₄BrNO₂
Boiling Point 360.6 °Cat 760mmHg
Molecular Weight 214.018
Flash Point 171.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-1,2-benzisoxazol-3(2H)-one;5-bromobenzo[d]isoxazol-3-one;5-Bromo-3-hydroksybenzoizoksazol [Polish];
PSA 46.26000
LogP 2.29590

1,2-Benzisoxazol-3(2H)-one, 5-bromo- Specification

This chemical is called 1,2-Benzisoxazol-3(2H)-one, 5-bromo-, and its systematic name is 5-bromo-1,2-benzisoxazol-3(2H)-one. With the molecular formula of C₇H₄BrNO₂, its molecular weight is 214.0162. The CAS registry number of this chemical is 65685-50-9.

Other characteristics of the 1,2-Benzisoxazol-3(2H)-one, 5-bromo- can be summarised as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.52; (6)ACD/BCF (pH 7.4): 27.52; (7)ACD/KOC (pH 5.5): 373.34; (8)ACD/KOC (pH 7.4): 373.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 41.97 cm³; (15)Molar Volume: 118.2 cm³; (16)Polarizability: 16.64×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.809 g/cm³; (19)Flash Point: 171.9 °C; (20)Enthalpy of Vaporization: 63.02 kJ/mol; (21)Boiling Point: 360.6 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc1c(ONC1=O)cc2
2.InChI: InChI=1/C7H4BrNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
3.InChIKey: XLPXBJYNYXPQAO-UHFFFAOYAS

Product Name

5-bromobenzo[d]isoxazol-3-one

1,2-Benzisoxazol-3(2H)-one, 5-bromo- Specification

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