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| CAS No.: | 766-93-8 |
|---|---|
| Name: | N-CYCLOHEXYLFORMAMIDE |
| Article Data: | 144 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H13NO |
| Molecular Weight: | 127.186 |
| Synonyms: | Cyclohexylformamide;Formamidocyclohexane;N-Cyclohexylformamide;N-Formylcyclohexylamine;NSC 76127;formamide, N-cyclohexyl-;CXF;N-Cyclohexylformamid; |
| Density: | 0.96 g/cm3 |
| Melting Point: | 36-41 °C(lit.) |
| Boiling Point: | 266.7 °C at 760 mmHg |
| Flash Point: | 149 °C |
| Appearance: | white crystalline low melting solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 29.10000 |
| LogP: | 2.09190 |
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Specification
The Formamide,N-cyclohexyl-, with the CAS registry number 766-93-8, has the systematic name and IUPAC name of N-cyclohexylformamide. It is a kind of white crystalline low melting solid, and belongs to the following product categories: Amides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C7H13NO.
The characteristics of Formamide,N-cyclohexyl- are as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.6; (6)ACD/BCF (pH 7.4): 7.6; (7)ACD/KOC (pH 5.5): 148.64; (8)ACD/KOC (pH 7.4): 148.65; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 36.38 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 14.42×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 50.47 kJ/mol; (21)Boiling Point: 266.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00853 mmHg at 25°C.
Preparation of Formamide,N-cyclohexyl-: This chemical can be prepared by cyclohexylamine and formyloxy-acetonitrile. The reaction time is 6 hours with ambient temperature, and the yield is about 75%.
Uses of Formamide,N-cyclohexyl-: It can react with tert-butyl-diphenylchlorosilane to produce N-cyclohexyl, N-t-butyldiphenylsilyl formamide. This reaction will need reagent n-BuLi, and the menstruum tetrahydrofuran. The reaction time is 2 hours with ambient temperature, and the yield is about 97%.
You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and is also harmful if swallowed. What's more, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CNC1CCCCC1
(2)InChI: InChI=1/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
(3)InChIKey: SWGXDLRCJNEEGZ-UHFFFAOYAO
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04849 |