2H-1,4-Benzoxazine-2,3(4H)-dione supplier

Name
3-HYDROXY-2H-1,4-BENZOXAZINE-2-ONE
EINECS 222-744-7
CAS No. 3597-63-5
Article Data14
CAS DataBase
Density 1.402 g/cm³
Solubility
Melting Point 258-259 °C(Solv: ethanol (64-17-5))
Formula C₈H₅NO₃
Boiling Point
Molecular Weight 163.133
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzoxazine-2,3-dione;3,4-Dihydro-2H-1,4-benzoxazine-2,3-dione;3-Hydroxy-2H-1,4-benzoxazin-2-one;
PSA 63.33000
LogP 0.89360

2H-1,4-Benzoxazine-2,3(4H)-dione Specification

The CAS register number of 2H-1,4-Benzoxazine-2,3(4H)-dione is 3597-63-5. It also can be called as 3-Hydroxy-2H-1,4-benzoxazin-2-one. The molecular formula about this chemical is C₈H₅NO₃ and the molecular weight is 163.13.

Physical properties about 2H-1,4-Benzoxazine-2,3(4H)-dione are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 2.87; (5)ACD/BCF (pH 7.4): 2.81; (6)ACD/KOC (pH 5.5): 73.96; (7)ACD/KOC (pH 7.4): 72.54; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 39.02 cm³; (13)Molar Volume: 116.3 cm³; (14)Polarizability: 15.47x10^-24cm³; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.402 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc2c(OC1=O)cccc2
(2)InChI: InChI=1/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
(3)InChIKey: MNDKNFRJYMSGTH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
(5)Std. InChIKey: MNDKNFRJYMSGTH-UHFFFAOYSA-N

Product Name

3-HYDROXY-2H-1,4-BENZOXAZINE-2-ONE

2H-1,4-Benzoxazine-2,3(4H)-dione Specification

Related Products

Hot Products