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CAS No.: | 1680-73-5 |
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Name: | 2-Chloro-1-formyl-1-cyclohexene |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C7H9ClO |
Molecular Weight: | 144.601 |
Synonyms: | 1-Chloro-2-formylcyclohexene;2-Chloro-1-cyclohexene-1-carboxaldehyde;2-Chloro-1-cyclohexenecarboxaldehyde;2-Chloro-1-formylcyclohexene; |
Density: | 1.134 g/cm3 |
Boiling Point: | 209.686 °C at 760 mmHg |
Flash Point: | 91.781 °C |
PSA: | 17.07000 |
LogP: | 2.25220 |
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The 1-Cyclohexene-1-carboxaldehyde,2-chloro-, with the CAS registry number 1680-73-5, is also known as 2-Chloro-1-formylcyclohexene. This chemical's molecular formula is C7H9ClO and molecular weight is 144.59876. What's more, its systematic name is called 2-Chlorocyclohex-1-ene-1-carbaldehyde.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.493; (8)Molar Refractivity: 37.041 cm3; (9)Molar Volume: 127.544 cm3; (10)Surface Tension: 34.332 dyne/cm; (11)Density: 1.134 g/cm3; (12)Flash Point: 91.781 °C; (13)Enthalpy of Vaporization: 44.596 kJ/mol; (14)Boiling Point: 209.686 °C at 760 mmHg; (15)Vapour Pressure: 0.2 mmHg at 25 °C.
Uses of 1-Cyclohexene-1-carboxaldehyde,2-chloro-: it is used to produce other chemicals. For example, it can react with Methanol to get 1-Chloro-2-carbomethoxy-cyclohexene. The reaction occurs with reagents Sodium cyanide, Manganese dioxide and solvent Acetic acid for 24 hours. The yield is 46%.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C1=C(/C=O)CCCC1
(2) InChI: InChI=1/C7H9ClO/c8-7-4-2-1-3-6(7)5-9/h5H,1-4H2
(3) InChIKey: LRPFOCFIHOUPNU-UHFFFAOYAJ