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CAS No.: 95387-98-7
Name: ACRYLIC ACID (1-13C)
Article Data: 3
Molecular Structure:
Molecular Structure of 95387-98-7 (ACRYLIC ACID (1-13C))
Formula: C213CH4O2
Molecular Weight: 73.07
Synonyms: ACRYLIC ACID (1-13C);ACRYLIC-1-13C ACID, 99 ATOM % 13C
Density: 1.063 g/cm3
Melting Point: 13 °C(lit.)
Boiling Point: 139 °C(lit.)
Flash Point: 130 °F
Hazard Symbols: CorrosiveC,DangerousN
Risk Codes: 10-34-50-35-20/21/22
Safety: 26-36-45-61-36/37/39
Transport Information: UN 2218
PSA: 37.30000
LogP: 0.25700
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  • 2-Propenoic-1-<sup>13</sup>C acid(9CI)

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    2-Propenoic-1-13C acid(9CI)

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This chemical is called 2-Propenoic-1-13C acid, and its systematic name is prop-2-enoic acid. With the molecular formula of C213CH4O2, its product categories are A; Alphabetical Listings; Stable Isotopes. The CAS registry number of this chemical is 95387-98-7. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 2-Propenoic-1-13C acid can be summarised as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Index of Refraction: 1.422; (5)Molar Refractivity: 17.23 cm3; (6)Molar Volume: 67.7 cm3; (7)Polarizability: 6.83×10-24cm3; (8)Surface Tension: 32.8 dyne/cm; (9)Density: 1.063 g/cm3.

Production method of this chemical: The 2-Propenoic-1-13C acid could be obtained by the reactants of (13C)Kohlendioxid and vinylmagnesium bromide. This reaction needs the solvent of tetrahydrofuran. The yield is 80 %. In addition, this reaction should be taken for 1 hour at the temperature of -20 °C.

The 2-Propenoic-1-13C acid could be obtained by the reactants of (13C)Kohlendioxid and vinylmagnesium bromide

Uses of this chemical: The 2-Propenoic-1-13C acid could react with 2-methyl-buta-1,3-diene, and obtain the 4-methyl-3-cyclohexenecarboxylic-carboxyl-13C acid. This reaction should be taken for 24 hours at the temperature of 115 °C. The yield is 45 %.

The 2-Propenoic-1-13C acid could react with 2-methyl-buta-1,3-diene, and obtain the 4-methyl-3-cyclohexenecarboxylic-carboxyl-13C acid

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. It causes burns.You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition. It's very toxic to aquatic organisms. You'd better avoid releasing it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure: 
2.InChI: InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i3+1