CAS No.51-79-6,Urethane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	51-79-6
Name:	Urethane
Article Data:	185

Formula:	C₃H₇NO₂
Molecular Weight:	89.0941
Synonyms:	Ethylaminoformate;Ethyl carbamate;Ethylurethane;Leucethane;O-Ethylurethane;Pracarbamine;
EINECS:	200-123-1
Density:	1.045 g/cm³
Melting Point:	48-50 °C(lit.)
Boiling Point:	184 °C at 760 mmHg
Flash Point:	97.2 °C
Solubility:	slightly soluble
Appearance:	COA
Hazard Symbols:	T
Risk Codes:	45
Safety:	53-45-99
PSA:	52.32000
LogP:	0.80190

Synthetic route

: 110-82-7
cyclohexane

: 66121-61-7
N,O-bistrimethylsilyl-N-(ethoxycarbonyl)hydroxylamine

A: 107-46-0
Hexamethyldisiloxane

B: 1541-19-1
ethyl N-cyclohexylcarbamate

C: 51-79-6
urethane

Conditions

Conditions	Yield
at 100℃; for 25h;	A 100% B 80% C 8%
at 45℃; for 58h; Irradiation;	A 75% B 45% C 55%

...Expand

: 64-17-5
ethanol

: 57-13-6
urea

: 51-79-6
urethane

Conditions

Conditions	Yield
With alumina supported chromium oxide-nickel oxide-bismuth oxide trimetal oxide catalyst at 90℃; for 12h; Sealed tube;	99.1%
at 179.84℃; for 7h; Autoclave;	90%

: 75934-53-1
ethyl-N-(carboethoxy)-N-nitrocarbamate

A: 62258-40-6
N-nitrouretahne ammonium salt

B: 51-79-6
urethane

Conditions

Conditions	Yield
With ammonia In acetonitrile for 0.0833333h;	A 99% B 0.15 g

: trichloroethoxycarbonyl chloride

: 51-79-6
urethane

Conditions

Conditions	Yield
sodium hydrogencarbonate	96%

: 24482-75-5
Dichloronitroacetic acid ethyl ester

: 51-79-6
urethane

Conditions

Conditions	Yield
With ammonium hydroxide for 48h; Ambient temperature;	91%

: 64-17-5
ethanol

: 917-61-3
sodium isocyanate

: 51-79-6
urethane

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at -2 - 2℃; for 6h;	90%
With perchloric acid on silica gel at 20℃; for 0.75h;	73%

: 60-29-7
diethyl ether

: 2746-25-0
p-Methoxybenzyl bromide

: 51-79-6
urethane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide; Petroleum ether; benzene	90%

: (Z,E)-N2-(ethoxycarbonyl)-N1-methyl-N1-octylformamidine

A: 36600-01-8
N-methyl-N-octylformamide

B: 51-79-6
urethane

Conditions

Conditions	Yield
With acetic acid In 1,4-dioxane at 20℃; for 1h;	A 89% B n/a

: 1-Ethoxycarbonylamino-2,4,6-trimethyl-pyridinium; perchlorate

A: 108-75-8
2,4,6-trimethyl-pyridine

B: C11H16N2O2

C: 51-79-6
urethane

Conditions

Conditions	Yield
With tetraethylammonium perchlorate In acetonitrile preparative electrolyse, - 2.3 V;	A 87% B n/a C n/a

...Expand

: 2Rh(1+)*4CO*2NCO(1-)=[Rh(CO)2NCO]2

A: hexarhodium hexadecacarbonyl

B: 51-79-6
urethane

Conditions

Conditions	Yield
With ethanol; carbon monoxide In ethanol to degassed ethanol educt added with stirring while CO bubled through for 15 h; product filtered off, washed with ethanol and hexane, dried in vac.; elem. anal.;	A 85% B n/a

Raw Materials

123-91-1

625-57-0

95-92-1

Downstream Products

645-92-1

140-22-7

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Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1974,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

DFG MAK: Animal Carcinogen, Suspected Human Carcinogen

Specification

The Urethane with CAS registry number of 51-79-6 is also called Carbamic acid, ethylester. Its EINECS registry number is 200-123-1. The IUPAC name is ethyl carbamate. In addition, the molecular formula is C₃H₇NO₂ and the molecular weight is 89.09. It is a kind of white crystalline powder. And it is incompatible with strong acids, strong bases and strong oxidizing agents.

Physical properties about this chemical are: (1)ACD/LogP: -0.15; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.74; (7)ACD/KOC (pH 7.4): 19.74; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 21.25 cm³; (14)Molar Volume: 85.2 cm³; (15)Polarizability: 8.42 ×10^-24cm³; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 1.045 g/cm³; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 42.03 kJ/mol; (20)Boiling Point: 184 °C at 760 mmHg; (21)Vapour Pressure: 0.748 mmHg at 25°C.

Preparation of Urethane: it can be prepared by urea nitrate, ethanol and sodium nitrite in the presence of sulfuric acid. This reaction is a kind of esterification reaction. Then go through the operation of distillation, crystallization and drying to get the products. In addition, it can be prepared by ethanol and cyanic acid;sodium cyanate. This reaction will need reagent HCl and solvent CH₂Cl₂. The reaction time is 6 hours at reaction temperature of -2 - 2 °C. The yield is about 90%.

Urethane can be prepared by ethanol and cyanic acid;sodium cyanate.

Uses of Urethane: this chemical can be used as intermediates for medicine, pesticides and perfume. And it is used for biochemical research and the production of sleeping pills and tranquilizers. Moreover, it can be used as fungicides, cosolvent of injection and colorants in dyeing industry. In addition, it can be used to get isocyanatophosphoric acid-dichloride. This reaction will need reagent PCl₅ and solvent CH₂Cl₂. The reaction time is 4 hours by heating. The yield is about 65%.

Urethane can be used to get isocyanatophosphoric acid-dichloride

When you are using this chemical, please be cautious about it as the following:
This chemical may cause cancer. Avoid exposure-obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should keep container in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N
(2)InChI: InChI=1/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
(3)InChIKey: JOYRKODLDBILNP-UHFFFAOYAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LDLo	oral	2188mg/kg (2188mg/kg)		"Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
guinea pig	LDLo	intraarterial	800mg/kg (800mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.
guinea pig	LDLo	intravenous	800mg/kg (800mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.
mouse	LD50	intraperitoneal	1539mg/kg (1539mg/kg)		Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
mouse	LD50	intravenous	500mg/kg (500mg/kg)		Acta Pharmaceutica Jugoslavica. Vol. 5, Pg. 43, 1955.
mouse	LD50	oral	2500mg/kg (2500mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 595, 1959.
mouse	LD50	subcutaneous	1750mg/kg (1750mg/kg)		Gann. Japanese Journal of Cancer Research. Vol. 63, Pg. 731, 1972.
mouse	LD50	unreported	2gm/kg (2000mg/kg)		British Journal of Cancer. Vol. 6, Pg. 160, 1952.
mouse	LDLo	parenteral	1gm/kg (1000mg/kg)	GASTROINTESTINAL: PERITONITIS	Progress Report for Contract No. PH-43-63-1132, Submitted to the National Cancer Institute by Scientific Associates, Inc. Vol. PH-43-62-483,
pigeon	LDLo	oral	800mg/kg (800mg/kg)		"Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit	LDLo	intravenous	2gm/kg (2000mg/kg)		"Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 272, 1973.
rat	LD50	intramuscular	1400mg/kg (1400mg/kg)		Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 84, Pg. 227, 1975.
rat	LD50	intraperitoneal	1500mg/kg (1500mg/kg)		Cancer Research. Vol. 26, Pg. 1448, 1966.
rat	LD50	oral	1809mg/kg (1809mg/kg)		Cancer Letters Vol. 57, Pg. 37, 1991.
rat	LDLo	subcutaneous	1800mg/kg (1800mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 182, Pg. 348, 1936.