6-Methyl-1,2-benzisoxazol-3(2H)-one supplier

Name
6-Methyl-1,2-benzisoxazol-3(2H)-one
EINECS
CAS No. 66571-26-4
Article Data9
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point 148-150 °C
Formula C₈H₇NO₂
Boiling Point 310.9 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 141.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-methyl-1,2-benzoxazol-3-one;
PSA 46.00000
LogP 1.42950

6-Methyl-1,2-benzisoxazol-3(2H)-one Specification

This product is an organic compound with the formula C₈H₇NO₂. The systematic name of this chemical is 6-Methyl-1,2-benzisoxazol-3(2H)-one. With the CAS registry number 66571-26-4, the molecular weight of it is 149.15.

Physical properties of 6-Methyl-1,2-benzisoxazol-3(2H)-one are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.95; (6)ACD/BCF (pH 7.4): 15.95; (7)ACD/KOC (pH 5.5): 252.68; (8)ACD/KOC (pH 7.4): 252.68; (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: 1.574; (14)Molar Refractivity: 39.11 cm³; (15)Molar Volume: 118.3 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.259 g/cm³; (19)Flash Point: 141.8 °C; (20)Enthalpy of Vaporization: 57.38 kJ/mol; (21)Boiling Point: 310.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000319 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccc(cc2ON1)C
(2)InChI: InChI=1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
(3)InChIKey: TZUHTZMWRNXWLN-UHFFFAOYSA-N

Product Name

6-Methyl-1,2-benzisoxazol-3(2H)-one

6-Methyl-1,2-benzisoxazol-3(2H)-one Specification

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