CAS No.13908-11-7,1-CYCLOHEXYL-3-(2-CHLOROETHYL)UREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13908-11-7
Name:	1-CYCLOHEXYL-3-(2-CHLOROETHYL)UREA
Article Data:	12

Formula:	C₉H₁₇ClN₂O
Molecular Weight:	204.7
Synonyms:	1-Cyclohexyl-3-(2-chloroethyl)urea;
Density:	1.11 g/cm³
Melting Point:	129℃
Boiling Point:	382 °C at 760 mmHg
Flash Point:	184.8 °C
Appearance:	liquid
PSA:	41.13000
LogP:	2.63890

Synthetic route

: 1943-83-5
2-chloroethyl isothiocyanate

: 108-91-8
cyclohexylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 50℃; for 0.0166667h; Solvent; Temperature; Time; Flow reactor;	91.7%
With triethylamine In tetrahydrofuran at 50℃; for 0.0166667h; Solvent; Temperature;	91.7%
With diethyl ether

: 80672-61-3
N-cyclohexyl-carbamate de succinimidyle

: 689-98-5
chloroethylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Conditions

Conditions	Yield
Ambient temperature;	68.6%

: 34693-48-6
Hexamethylendi-

: 108-91-8
cyclohexylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

: 60285-28-1
Ethyl-5-(2-chloroethyl)-3-nitrosohydantoat

: 108-91-8
cyclohexylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Conditions

Conditions	Yield
In water Ambient temperature;

: 13010-47-4
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea

A: 1117-96-0
Diazoethan

B: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

C: 64-17-5
ethanol

D: 108-91-8
cyclohexylamine

E: 75-04-7
ethylamine

F: 2-chlorodiazomethane

Conditions

Conditions	Yield
With potassium hydroxide; aluminum nickel In methanol Product distribution; Mechanism; degradation under various conditions (HBr in glac. CH3CO2H) with preparation of nonmutagenic reaction mixtures of products;

...Expand

: 3173-53-3
Cyclohexyl isocyanate

: 689-98-5
chloroethylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Conditions

Conditions	Yield
In diethyl ether Ambient temperature;

: 108-91-8
cyclohexylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 56.6 percent / acetonitrile / Ambient temperature 2: 68.6 percent / Ambient temperature View Scheme

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

: 13010-47-4
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea

Conditions

Conditions	Yield
With tin(IV) chloride; sodium nitrite In dichloromethane at 20℃; for 2h;	100%
With tert.-butylnitrite In ethanol; acetonitrile at 25℃; for 0.133333h; Reagent/catalyst; Solvent; Temperature; Time; Flow reactor;	91.2%
With tert.-butylnitrite In ethanol; acetonitrile at 25℃; for 0.133333h; Reagent/catalyst; Temperature; Solvent;	91.2%

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

: 10002-37-6
2-(cyclohexylamino)-2-oxazoline

Conditions

Conditions	Yield
In water Heating;	80%

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Specification

The Urea,N-(2-chloroethyl)-N'-cyclohexyl-, with the CAS registry number of 13908-11-7, is also known as 1-Cyclohexyl-3-(2-chloroethyl)urea. Its molecular formula is C₉H₁₇ClN₂O and molecular weight is 204.697080. What's more, its IUPAC name is 1-(2-Chloroethyl)-3-cyclohexylurea.

Physical properties about the Urea,N-(2-chloroethyl)-N'-cyclohexyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.23; (6)ACD/BCF (pH 7.4): 17.23; (7)ACD/KOC (pH 5.5): 267.04; (8)ACD/KOC (pH 7.4): 267.03; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 53.9 cm³; (15)Molar Volume: 183.6 cm³; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 184.8 °C; (19)Enthalpy of Vaporization: 63.04 kJ/mol; (20)Boiling Point: 382 °C at 760 mmHg; (21)Vapour Pressure: 4.86E-06 mmHg at 25 °C.

Preparation: this chemical can be obtained by N-Cyclohexyl-carbamate de succinimidyle and 2-Chloro-ethylamine. The yield is about 68.6 %.

The Urea,N-(2-chloroethyl)-N'-cyclohexyl- can be obtained by N-Cyclohexyl-carbamate de succinimidyle and 2-Chloro-ethylamine

Uses: it is used to produce other chemicals. For example, it is used to produce Cyclohexyl-(4,5-dihydro-oxazol-2-yl)-amine. This reaction needs solvent H₂O. The yield is about 80 %.

The Urea,N-(2-chloroethyl)-N'-cyclohexyl- is used to produce Cyclohexyl-(4,5-dihydro-oxazol-2-yl)-amine

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1)NCCCl
(2) InChI: InChI=1/C9H17ClN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,12,13)
(3) InChIKey: BIOZXMXBLXQEBQ-UHFFFAOYAL