CAS No.1187-03-7,1,1,3,3-Tetraethylurea Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1187-03-7
Name:	1,1,3,3-Tetraethylurea
Article Data:	35

Formula:	C₉H₂₀N₂O
Molecular Weight:	172.271
Synonyms:	Urea,1,1,3,3-tetraethyl- (6CI,7CI);Urea, tetraethyl- (8CI,9CI);1,1,3,3-Tetraethylurea;N,N,N',N'-Tetraethylurea;Tetraethylcarbamide;
EINECS:	214-696-0
Density:	0.907 g/cm³
Melting Point:	-20.15°C
Boiling Point:	209 °C at 760 mmHg
Flash Point:	87 °C
Appearance:	Colorless transparent liquid
Risk Codes:	36/37/38
Safety:	23-24/25
PSA:	23.55000
LogP:	1.79000

Total:36 Page 1 of 1 1

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Specification

The Urea,N,N,N',N'-tetraethyl-, with the CAS registry number 1187-03-7, is also known as Urea, tetraethyl-. Its EINECS registry number is 214-696-0. This chemical's molecular formula is C₉H₂₀N₂O and molecular weight is 172.2679. Its IUPAC name is called 1,1,3,3-tetraethylurea. This chemical's classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. Urea,N,N,N',N'-tetraethyl- is mainly used as surface active agent, intermediate of medical, pesticide, and high grade solvent etc.

Physical properties of Urea,N,N,N',N'-tetraethyl-: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 33.86; (5)ACD/BCF (pH 7.4): 33.86; (6)ACD/KOC (pH 5.5): 433.09; (7)ACD/KOC (pH 7.4): 433.09; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.455; (11)Molar Refractivity: 51.21 cm³; (12)Molar Volume: 188.7 cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.912 g/cm³; (15)Flash Point: 87 °C; (16)Enthalpy of Vaporization: 44.53 kJ/mol; (17)Boiling Point: 209 °C at 760 mmHg; (18)Vapour Pressure: 0.208 mmHg at 25°C.

Preparation of Urea,N,N,N',N'-tetraethyl-: this chemical can be prepared by N,N,N',N'-Tetraethyl-selenoharnstoff. This reaction will need reagent m-chloroperbenzoic acid and solvent CH₂Cl₂. The reaction time is 3 hours with reaction temperature of 0 °C. The yield is about 100%.

Urea,N,N,N',N'-tetraethyl- can be prepared by N,N,N',N'-Tetraethyl-selenoharnstoff

Uses of Urea,N,N,N',N'-tetraethyl-: it can be used to produce N,N,N',N'-Tetraethyl-chlorformamidinium-chlorid at temperature of 20 °C. This reaction will need reagent phosgen and solvent toluene with reaction time of 36 hours. The yield is about 92%.

Urea,N,N,N',N'-tetraethyl- can be used to produce N,N,N',N'-Tetraethyl-chlorformamidinium-chlorid

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C(=O)N(CC)CC
(2)InChI: InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
(3)InChIKey: UWHSPZZUAYSGTB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02977,
mouse	LDLo	intraperitoneal	93mg/kg (93mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935.