-
Name
ETHYL 1-CYANOCYCLOPROPANECARBOXYLATE
- EINECS
- CAS No. 1558-81-2
- Article Data35
- CAS DataBase
- Density 1.12 g/cm3
- Solubility
- Melting Point
- Formula C7H9NO2
- Boiling Point 222.8 °C at 760 mmHg
- Molecular Weight 139.154
- Flash Point 94.9 °C
- Transport Information
- Appearance
- Safety 26-37
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms Ethyl 1-cyanocyclopropanecarboxylate;1-Cyano-cyclopropanecarboxylicacid ethyl ester;Ethyl 1-cyanocyclopropane-1-carboxylate;Ethyl1-cyanocyclopropanecarboxylate;NSC 666530;
- PSA 50.09000
- LogP 0.85328
Ethyl 1-cyanocyclopropanecarboxylate Specification
The Ethyl 1-cyanocyclopropanecarboxylate is an organic compound with the formula C7H9NO2. The systematic name of this chemical is ethyl 1-cyanocyclopropanecarboxylate. With the CAS registry number 1558-81-2, it is also named as Cyclopropanecarboxylic acid, 1-cyano-, ethyl ester. The product's categories are C6 to C7; Carbonyl Compounds; Esters. Besides, it should be stored in a closed cool and dry place.
Physical properties about Ethyl 1-cyanocyclopropanecarboxylate are: (1)ACD/LogP: 0.03; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 50.09 Å2; (5)Index of Refraction: 1.466; (6)Molar Refractivity: 34.21 cm3; (7)Molar Volume: 123.4 cm3; (8)Polarizability: 13.56×10-24cm3; (9)Surface Tension: 40.7 dyne/cm; (10)Density: 1.12 g/cm3; (11)Flash Point: 94.9 °C; (12)Enthalpy of Vaporization: 45.93 kJ/mol; (13)Boiling Point: 222.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0996 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dibromo-ethane and cyanoacetic acid ethyl ester. This reaction will need reagent alcoholic sodium ethylate.
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Uses of Ethyl 1-cyanocyclopropanecarboxylate: it can be used to produce 1-cyano-cyclopropanecarboxylic acid. It will need reagent KOH and solvent ethanol. The yield is about 45%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1(C#N)CC1
(2)InChI: InChI=1/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
(3)InChIKey: FDZLCIITHLSEQK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
(5)Std. InChIKey: FDZLCIITHLSEQK-UHFFFAOYSA-N
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