2H-3,1-Benzoxazine-2,4(1H)-dione, 8-chloro- supplier

Name
IFLAB-BB F1962-0261
EINECS 624-153-3
CAS No. 63497-60-9
Article Data23
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point 227-232 °C
Formula C₈H₄ClNO₃
Boiling Point
Molecular Weight 197.578
Flash Point
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms Isatoic anhydride, 3-chloro- (6CI);IFLAB-BB F1962-0261;3-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione;3-Chloroisatoic anhydride;
PSA 63.07000
LogP 1.13470

2H-3,1-Benzoxazine-2,4(1H)-dione, 8-chloro- Specification

The CAS register number of 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-chloro- is 63497-60-9. It also can be called as 3-Chloroisatoic anhydride and the systematic name about this chemical is 8-chloro-2H-3,1-benzoxazine-2,4(1H)-dione. The molecular formula about this chemical is C₈H₄ClNO₃ and the molecular weight is 197.58.

Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-chloro- are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.98; (5)ACD/BCF (pH 7.4): 6.94; (6)ACD/KOC (pH 5.5): 139.8; (7)ACD/KOC (pH 7.4): 139.12; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 43.92 cm³; (13)Molar Volume: 128.2 cm³; (14)Polarizability: 17.41x10^-24cm³; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.54 g/cm³.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes. It may cause damage to health. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(=O)Nc1c2cccc1Cl
(2)InChI: InChI=1/C8H4ClNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
(3)InChIKey: ORYNBDLURYDZFM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H4ClNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
(5)Std. InChIKey: ORYNBDLURYDZFM-UHFFFAOYSA-N

Product Name

IFLAB-BB F1962-0261

2H-3,1-Benzoxazine-2,4(1H)-dione, 8-chloro- Specification

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