CAS No.85-98-3,N,N'-DIETHYL-N,N'-DIPHENYLUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85-98-3
Name:	N,N'-DIETHYL-N,N'-DIPHENYLUREA
Article Data:	12

Formula:	C₁₇H₂₀N₂O
Molecular Weight:	268.359
Synonyms:	Carbanilide,N,N'-diethyl- (7CI,8CI);Centralite 1 (6CI);1,3-Diethyl-1,3-diphenylurea;Carbamite;Centralite;Centralite I;Ethyl centralite;N,N'-Diethyl-N,N'-diphenylurea;N,N'-Diethylcarbanilide;NSC 28779;NSC 44038;sym-Diethyldiphenylurea;
EINECS:	201-645-2
Density:	1.118 g/cm³
Melting Point:	73-75 °C(lit.)
Boiling Point:	379 °C at 760 mmHg
Flash Point:	150.8 °C
Solubility:	Insoluble in water
Appearance:	white crystalline powder
Hazard Symbols:	F,Xn
Risk Codes:	11-20/21/22-36-52/53-22
Safety:	22-24/25
PSA:	23.55000
LogP:	4.15940

Synthetic route

: 64-67-5
diethyl sulfate

: 102-07-8
bis(diphenyl)urea

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With sodium hydroxide; potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate In toluene for 3h; Alkylation; Heating;	97%

: 33758-39-3
N-ethyl-N-phenyl carbamoyl chloride

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium hydrogencarbonate In 1,4-dioxane at 100℃; for 48h; Schlenk technique; Inert atmosphere;	59%

: 201230-82-2
carbon monoxide

: 103-69-5
N-ethyl-N-phenylamine

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With oxygen; potassium iodide In neat (no solvent) at 122℃; for 6h; Green chemistry;	48%

: 110-86-1
pyridine

: 33758-39-3
N-ethyl-N-phenyl carbamoyl chloride

: 55-21-0
benzamide

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
at 120℃;

...Expand

: 4338-94-7
N,N'-diethyl-N,N'-diphenyl-thiourea

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With potassium hydroxide; dihydrogen peroxide

: 33758-39-3
N-ethyl-N-phenyl carbamoyl chloride

: 103-69-5
N-ethyl-N-phenylamine

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With zinc(II) oxide at 200℃;
at 130℃;

: 75-44-5
phosgene

: 103-69-5
N-ethyl-N-phenylamine

: 91-66-7
N,N-diethylaniline

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
at 160 - 210℃;

...Expand

: 75-44-5
phosgene

: 91-66-7
N,N-diethylaniline

: 85-98-3
ethyl centralite

: 33758-39-3
N-ethyl-N-phenyl carbamoyl chloride

: 91-66-7
N,N-diethylaniline

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
With zinc(II) oxide at 200℃;

: 33758-39-3
N-ethyl-N-phenyl carbamoyl chloride

: 55-21-0
benzamide

sodium carbonate: sodium carbonate

: 85-98-3
ethyl centralite

Conditions

Conditions	Yield
at 120℃;

...Expand

Raw Materials

7722-84-1

103-69-5

110-86-1

4338-94-7

33758-39-3

55-21-0

64-67-5

91-66-7

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The N,N'-Diethylcarbanilide, also known as Bis(N-ethyl-N-phenyl)urea, is the organic compound with the formula C₁₇H₂₀N₂O. This chemical belongs to the product categories of Industrial/Fine Chemicals; Carbonyl Compounds; Organic Building Blocks; Ureas. Its EINECS registry number is 201-645-2. With the CAS registry number 85-98-3, its IUPAC name is called 1,3-diethyl-1,3-diphenylurea. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contact it with skin and eyes.

Physical properties of N,N'-Diethylcarbanilide: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 3.58; (4)ACD/BCF (pH 5.5): 312.17; (5)ACD/BCF (pH 7.4): 312.18; (6)ACD/KOC (pH 5.5): 2123.69; (7)ACD/KOC (pH 7.4): 2123.72; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 83.74 cm³; (12)Molar Volume: 239.9 cm³; (13)Surface Tension: 47.9 dyne/cm; (14)Density: 1.118 g/cm³; (15)Flash Point: 150.8 °C; (16)Enthalpy of Vaporization: 62.7 kJ/mol; (17)Boiling Point: 379 °C at 760 mmHg; (18)Vapour Pressure: 6.04E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-diphenyl-urea and sulfuric acid diethyl ester. This reaction is a kind of Alkylation. It will need reagents NaOH, K₂CO₃ and solvent toluene. The reaction time is 3 hours. The yield is about 97%.

N,N'-Diethylcarbanilide can be prepared by 1,3-diphenyl-urea and sulfuric acid diethyl ester

Uses of N,N'-Diethylcarbanilide: it can be used to prepare N,N'-diethyl-N,N'-bis-(4-nitro-phenyl)-urea. This reaction will need reagents acetic acid, water and nitric acid.

N,N'-Diethylcarbanilide can be used to prepare N,N'-diethyl-N,N'-bis-(4-nitro-phenyl)-urea

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2
(2)InChI: InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
(3)InChIKey: PZIMIYVOZBTARW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	2500mg/kg (2500mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(5), Pg. 21, 1976.
rat	LD50	oral	2750mg/kg (2750mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(5), Pg. 21, 1976.