2-Imidazolidinone

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Names

[ CAS No. ]:
120-93-4

[ Name ]:
2-Imidazolidinone

[Synonym ]:
imidazolidin-2-one
2-Imidazolidinone
EINECS 204-436-4
Imidazolidone
Ethylenurea
Ethyleneurea
1,3-(ethane-1,2-diyl)urea
N,N'-ethyleneurea
ethylene urea
urea,ethylene
SD 6073
Imidazolidinone
2-Imidazolidone
N,N-Ethylenurea
2-Oxoimidazolidine
Imidazolid-2-one
MFCD00005257
oxoimidazolidine

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
358.7±11.0 °C at 760 mmHg

[ Melting Point ]:
129-132 °C(lit.)

[ Molecular Formula ]:
C₃H₆N₂O

[ Molecular Weight ]:
86.092

[ Flash Point ]:
202.5±19.4 °C

[ Exact Mass ]:
86.048012

[ PSA ]:
41.13000

[ LogP ]:
-1.23

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.447

[ Water Solubility ]:
soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ0570000

CHEMICAL NAME :: 2-Imidazolidinone

CAS REGISTRY NUMBER :: 120-93-4

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C3-H6-N2-O

MOLECULAR WEIGHT :: 86.11

WISWESSER LINE NOTATION :: T5MVMTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1000 mg/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - tumors

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 15 mg/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

REFERENCE :: 85GUAJ "Antifertility Compounds in the Male and Female," Jackson, H., Springfield, IL, Charles C. Thomas, 1966 Volume(issue)/page/year: -,37,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83666 No. of Facilities: 159 (estimated) No. of Industries: 3 No. of Occupations: 11 No. of Employees: 4032 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83666 No. of Facilities: 76 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 6452 (estimated) No. of Female Employees: 347 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
NJ0570000

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,2-Ethanediamine
Dimethyl Carbonate
carbon monoxide
Carbon dioxide
Ethylene carbonate
methyl 2-(2-methoxycarbonylphenoxy)carbonyloxybenzoate
Urea
Urea,N-(2-chloroethyl)-
Methanol

DownStream

2-Methyl-2-imidazoline
1-(4-bromophenyl)imidazolidin-2-one
ethane-1,2-diaminium dichloride
1-Methylsulfonyl-2-imidazolidinone
Clonidine hydrochloride
ditert-butyl 2-oxoimidazolidine-1,3-dicarboxylate
1,3-Dimethyl-2-imidazolidinone
1-benzoylimidazolidin-2-one
2-Imidazolidinone,1,3-dinitro-
2-Imidazolidinone,1,3-bis(methoxymethyl)-

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.

J. Phys. Chem. A 114(34) , 9237-45, (2010)

A computational study of the structural and thermochemical properties of N-phenyl (open) and N-alkyl (cyclic) ureas, through the use of M05-2X and B3LYP density functional theory calculations has been...

Synthesis of new unsymmetrical 4,5-dihydroxy-2-imidazolidinones. Dynamic NMR spectroscopic study of the prototropic tautomerism in 1-(2-benzimidazolyl)-3-phenyl-4,5-dihydroxy-2-imidazolidinone.

Molecules 11(10) , 768-75, (2006)

The acid-catalyzed cyclocondensation in refluxing acetonitrile of aqueous glyoxal with N-heteroaryl-N'-phenylureas 4a-f (heteroaryl = 2-thiazolyl, 2-pyrimidinyl,2-pyrazinyl, 2-pyridinyl, 3-pyridinyl a...

[Preliminary pharmacological evaluation of new imidazolidinone-2, ethylenediamine and imidazoline derivatives].

Acta Pol. Pharm. 41(4) , 495-504, (1984)