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Cas Database |
| Name |
2(3H)-benzoxazolone, 6-amino- |
EINECS | N/A |
| CAS No. | 22876-17-1 | Density | 1.438 g/cm3 |
| PSA | 72.02000 | LogP | 1.28450 |
| Solubility | N/A | Melting Point |
205°C(lit.) |
| Formula | C7H6N2O2 | Boiling Point | 299oC at 760mmHg |
| Molecular Weight | 150.137 | Flash Point | 134.6oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
2-Benzoxazolinone,6-amino- (6CI,8CI);6-Amino-1,3-benzoxazol-2(3H)-one;6-Amino-2-benzoxazolone;6-Amino-3H-benzoxazol-2-one;6-Aminobenzo[d]oxazol-2(3H)-one;6-Aminobenzoxazolin-2-one;6-Aminobenzoxazolone; |
Article Data | 24 |
2(3H)-benzoxazolone, 6-amino- Specification
The CAS register number of 2(3H)-benzoxazolone, 6-amino- is 22876-17-1. It also can be called as 6-Amino-1,3-benzoxazol-2(3H)-one and the systematic name about this chemical is 6-amino-1,3-benzoxazol-2(3H)-one. The molecular formula about this chemical is C7H6N2O2 and the molecular weight is 150.13. It belongs to the Amineprimary.
Physical properties about 2(3H)-benzoxazolone, 6-amino- are: (1)ACD/LogP: -0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.86; (5)ACD/KOC (pH 7.4): 19.9; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 32.78Å2; (10)Index of Refraction: 1.659; (11)Molar Refractivity: 38.52 cm3; (12)Molar Volume: 104.3 cm3; (13)Polarizability: 15.27x10-24cm3; (14)Surface Tension: 63 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Oc1cc(ccc1N2)N
(2)InChI: InChI=1/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
(3)InChIKey: STLPJYGZOIEDAJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
(5)Std. InChIKey: STLPJYGZOIEDAJ-UHFFFAOYSA-N
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