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2051-76-5

Basic Information
CAS No.: 2051-76-5
Name: 2-Propenoic acid,1,1'-anhydride
Molecular Structure:
Molecular Structure of 2051-76-5 (2-Propenoic acid,1,1'-anhydride)
Formula: C6H6O3
Molecular Weight: 126.11
Synonyms: 2-Propenoic acid,anhydride (9CI);Acrylic anhydride (6CI,7CI,8CI);Acrylic acid anhydride;NSC32616;
EINECS: 218-128-2
Density: 1.065 g/cm3
Melting Point: -20 °C
Boiling Point: 203.839 °C at 760 mmHg
Flash Point: 85.705 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes: 14-20/21/22-34
Safety: 26-36/37/39-45
Transport Information:
PSA: 43.37000
LogP: 0.42820
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Specification

The IUPAC name of Acrylic anhydride is prop-2-enoyl prop-2-enoate. With the CAS registry number 2051-76-5, it is also named as 2-Propenoic acid, anhydride. The product's categories are Monomer; Organic acids. It is colorless liquid with strong irritating odor that reacts violently with water and is miscible with ethanol and ether. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.33; (8)ACD/KOC (pH 7.4): 58.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 31.1 cm3; (14)Molar Volume: 118.3 cm3; (15)Polarizability: 12.32×10-24 cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Enthalpy of Vaporization: 44.01 kJ/mol; (18)Vapour Pressure: 0.272 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 126.031694; (21)MonoIsotopic Mass: 126.031694; (22)Topological Polar Surface Area: 43.4; (23)Heavy Atom Count: 9; (24)Complexity: 140.

Preparation of Acrylic anhydride: It can be obtained by acrylic acid. This reaction needs reagents copper acetate and diketene.

Uses of Acrylic anhydride: It is used in the preparation of acrylic resin. And it is also used in organic synthesis. For example: it can react with adamantan-1-ol to get acrylic acid adamantan-1-yl ester. This reaction needs catalytic agent acidic catalyst and solvent cyclohexane by heating. The yield is 95%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(=O)\C=C)\C=C
2. InChI:InChI=1/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
3. InChIKey:ARJOQCYCJMAIFR-UHFFFAOYAS