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Formamide,N-cyclohexyl-

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Name

Formamide,N-cyclohexyl-

EINECS
CAS No. 766-93-8 Density 0.96 g/cm3
PSA 29.10000 LogP 2.09190
Solubility Melting Point 36-41 °C(lit.)
Formula C7H13NO Boiling Point 266.7 °C at 760 mmHg
Molecular Weight 127.18 Flash Point 149 °C
Transport Information Appearance white crystalline low melting solid
Safety 26-39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 766-93-8 (Formamide,N-cyclohexyl-) Hazard Symbols HarmfulXn
Synonyms

Cyclohexylformamide;Formamidocyclohexane;N-Cyclohexylformamide;N-Formylcyclohexylamine;NSC 76127;formamide, N-cyclohexyl-;CXF;N-Cyclohexylformamid;

 

Formamide,N-cyclohexyl- 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

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