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CAS No.: | 169037-24-5 |
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Name: | 5-AMINOISATOIC ANHYDRIDE |
Molecular Structure: | |
Formula: | C8H6N2O3 |
Molecular Weight: | 178.147 |
Synonyms: | 6-Amino-1H-benzo[d][1,3]oxazine-2,4-dione; |
Density: | 1.501 g/cm3 |
Melting Point: | >300 °C(lit.) |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38-43 |
Safety: | 26-36 |
PSA: | 89.09000 |
LogP: | 0.64470 |
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The 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-amino- is an organic compound with the formula C8H6N2O3. The systematic name of this chemical is 6-Amino-2H-3,1-benzoxazine-2,4(1H)-dione. With the CAS registry number 169037-24-5, it is also named as 5-Aminoisatoic anhydride. The product's categories are Carbonyl Compounds; Carboxylic Acid Anhydrides; Organic Building Blocks. Besides, its molecular weight is 178.14.
Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-amino- are: (1)ACD/LogP: -0.38; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.75; (7)ACD/KOC (pH 7.4): 14.84; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.85 Å2; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 43.26 cm3; (14)Molar Volume: 118.6 cm3; (15)Polarizability: 17.15×10-24 cm3; (16)Surface Tension: 66.9 dyne/cm; (17)Density: 1.501 g/cm3.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It may cause sensitization by skin contact . Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)InChI: InChI=1/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)
(2)InChIKey: QEQDLBKVHJXPJA-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)
(4)Std. InChIKey: QEQDLBKVHJXPJA-UHFFFAOYSA-N