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| CAS No.: | 2170-03-8 |
|---|---|
| Name: | Itaconic anhydride |
| Article Data: | 26 |
| Molecular Structure: | |
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|
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| Formula: | C5H4O3 |
| Molecular Weight: | 112.085 |
| Synonyms: | Itaconicanhydride (6CI);Succinic anhydride, methylene- (8CI);Dihydro-3-methylene-2,5-furandione;Itaconicacid anhydride;Methylenesuccinic anhydride;NSC 43979; |
| EINECS: | 218-518-2 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 66-68 °C(lit.) |
| Boiling Point: | 239.4 °C at 760 mmHg |
| Flash Point: | 114.8 °C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | White to cream crystalline powder |
| Hazard Symbols: |
 Xi;  Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-24/25 |
| PSA: | 43.37000 |
| LogP: | 0.01610 |
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Specification
The Itaconic anhydride with CAS registry number 2170-03-8 is also called 2,5-Furandione,dihydro-3-methylene-. The IUPAC name is 3-methylidenedihydrofuran-2,5-dione. Its EINECS registry number is 218-518-2. In addition, the molecular formula is C5H4O3 and the molecular weight is 112.08346. What's more, it is a kind of white to cream crystalline powder.
Physical properties about this chemical are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.07; (8)ACD/KOC (pH 7.4): 13.07; (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: 1.47; (14)Molar Refractivity: 24.66 cm3; (15)Molar Volume: 88.3 cm3; (16)Polarizability: 9.77 ×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 114.8 °C; (20)Enthalpy of Vaporization: 47.63 kJ/mol; (21)Boiling Point: 239.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0401 mmHg at 25°C.
Preparation of Itaconic anhydride: it can be prepared by methylenesuccinic acid. This reaction will need reagent (trimethylsilyl)ethoxyacetylene and solvent CH2Cl2. The reaction time is 5 hours at reaction temperature of 40 °C. The yield is about 100%.
Uses of Itaconic anhydride: it can react with benzene to get 2-phenacyl-acrylic acid. This reaction will need reagent anhydr. aluminum chloride. The reaction time is 3 hours at reaction temperature of 35-40 °C. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. And it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is a little harmful to water, so you shoud not let a large number of this products contact with the groundwater, the waterway or sewage system. If anarchic license, do not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1OC(=O)CC\1=C
(2)InChI: InChI=1/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
(3)InChIKey: OFNISBHGPNMTMS-UHFFFAOYAW