2H-1,3-Benzoxazin-2-one supplier

Name
CouMaraz-2-one
EINECS
CAS No. 5651-38-7
Article Data3
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₈H₅NO₂
Boiling Point 279.8 °C at 760 mmHg
Molecular Weight 147.13
Flash Point 150.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-benzoxazin-2-one;
PSA 43.10000
LogP 1.18800

2H-1,3-Benzoxazin-2-one Specification

The chemical with CAS registry number of 5651-38-7 is known as 2H-1,3-Benzoxazin-2-one. The systematic name and product name are the same. In addition, its formula is C₈H₅NO₂ and the molecular weight is 147.13.

Physical properties about 2H-1,3-Benzoxazin-2-one are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.44; (6)ACD/BCF (pH 7.4): 4.44; (7)ACD/KOC (pH 5.5): 101.08; (8)ACD/KOC (pH 7.4): 101.08; (9)#H bond acceptors: 3; (10)Index of Refraction: 1.62; (11)Molar Refractivity: 39.6 cm³; (12)Molar Volume: 112.6 cm³; (13)Surface Tension: 49 dyne/cm; (14)Density: 1.3 g/cm³; (15)Flash Point: 150.6 °C; (16)Enthalpy of Vaporization: 51.85 kJ/mol; (17)Boiling Point: 279.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00392 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1\N=C/c2ccccc2O1
2. InChI: InChI=1/C8H5NO2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-5H
3. InChIKey: BIXMBBKKPTYJEK-UHFFFAOYAU
4. Std. InChI: InChI=1S/C8H5NO2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-5H
5. Std. InChIKey: BIXMBBKKPTYJEK-UHFFFAOYSA-N

Product Name

CouMaraz-2-one

2H-1,3-Benzoxazin-2-one Specification

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