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| CAS No.: | 4462-96-8 |
|---|---|
| Name: | Cyclobutane-1,2-dicarboxylic anhydride |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C6H6O3 |
| Molecular Weight: | 126.112 |
| Synonyms: | 1,2-Cyclobutanedicarboxylicanhydride (6CI,7CI,8CI);1,2-Cyclobutanedicarboxylic acid anhydride;NSC119923;NSC 134999;NSC 148995;cis-1,2-Cyclobutanedicarboxylic anhydride; |
| Density: | 1.412 g/cm3 |
| Melting Point: | 73-76 °C |
| Boiling Point: | 271.5 °C at 760 mmHg |
| Flash Point: | 139.4 °C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 43.37000 |
| LogP: | 0.09600 |
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Specification
The Cyclobutane-1,2-dicarboxylic anhydride, with the cas registry number 4462-96-8, has the systematic name and IUPAC name of 3-oxabicyclo[3.2.0]heptane-2,4-dione. It belongs to the product category of Fused Ring Systems. And the molecular formula of the chemical is C6H6O3.
The characteristics of this chemical are as followings: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.84; (8)ACD/KOC (pH 7.4): 7.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 27.58 cm3; (15)Molar Volume: 89.2 cm3; (16)Polarizability: 10.93×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.412 g/cm3; (19)Flash Point: 139.4 °C; (20)Enthalpy of Vaporization: 50.97 kJ/mol; (21)Boiling Point: 271.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00643 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1OC(=O)C2C1CC2
(2)InChI: InChI=1/C6H6O3/c7-5-3-1-2-4(3)6(8)9-5/h3-4H,1-2H2
(3)InChIKey: NMNZZIMBGSGRPN-UHFFFAOYAZ