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| CAS No.: | 63497-60-9 |
|---|---|
| Name: | IFLAB-BB F1962-0261 |
| Article Data: | 23 |
| Molecular Structure: | |
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|
| Formula: | C8H4ClNO3 |
| Molecular Weight: | 197.578 |
| Synonyms: | Isatoic anhydride, 3-chloro- (6CI);IFLAB-BB F1962-0261;3-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione;3-Chloroisatoic anhydride; |
| EINECS: | 624-153-3 |
| Density: | 1.54 g/cm3 |
| Melting Point: | 227-232 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 63.07000 |
| LogP: | 1.13470 |
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- Total:20 Page 1 of 1 1
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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