TERT-BUTYLUREA

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Names

[ CAS No. ]:
1118-12-3

[ Name ]:
TERT-BUTYLUREA

[Synonym ]:
tert-Butylharnstoff
tert-Butylurea
1-tert-butylurea
EINECS 214-257-3
tert.-butylurea
1,1-dimethylethylurea
MFCD00025448
UREA,tert-BUTYL
N-tert-Butylurea

Chemical & Physical Properties

[ Density]:
0.962g/cm3

[ Boiling Point ]:
163.7ºC at 760mmHg

[ Melting Point ]:
~185 °C (dec.)

[ Molecular Formula ]:
C5H12N2O

[ Molecular Weight ]:
116.16200

[ Flash Point ]:
52.8ºC

[ Exact Mass ]:
116.09500

[ PSA ]:
55.12000

[ LogP ]:
1.54440

[ Vapour Pressure ]:
2.04mmHg at 25°C

[ Index of Refraction ]:
1.448

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS3680000
CHEMICAL NAME :
Urea, tert-butyl-
CAS REGISTRY NUMBER :
1118-12-3
BEILSTEIN REFERENCE NO. :
1744501
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H12-N2-O
MOLECULAR WEIGHT :
116.19
WISWESSER LINE NOTATION :
ZVMX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3050 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 219,103,1976

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R37

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
YS3680000

[ HS Code ]:
2924199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Urea,N-(1,1-dimethylethyl)-N'-(phenylmethyl)-
  • Urea,N,N'-dimethyl-N'-nitroso-
  • tert-Butylamine
  • ethyl N-tert-butylcarbamate
  • 2-Bromo-2-methylpropane
  • Urea
  • tert-Butanol
  • Potassium cyanate
  • Isobutylene
  • methyl (Z)-3-(3-(tert-butyl)ureido)-2-methylacrylate

DownStream

  • tert-Butylamine
  • ETHYL 2-[(1,1-DIMETHYLETHYL)AMINO]-4-TRIFLUOROMETHYL-5-OXAZOLECARBOXYLATE
  • 1H-Isoindole-1,3(2H)-dione,2-(1,1-dimethylethyl)-
  • N-(tert-butylcarbamoyl)-2-chloroacetamide
  • tert-butyl N-(tert-butylamino)carbamate

Customs

[ HS Code ]: 2924199090

[ Summary ]:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

D'hooghe M and De Kimpe N.

Tetrahedron 64(15) , 3275-3285, (2008)


More Articles

Related Compounds

  • Di-tert-Butylurea
  • 1-amino-3-tert-butylurea
  • 1-benzyl-3-tert-butylurea
  • N-methyl-N'-tert-butylurea
  • 1-(2-aminoethyl)-3-tert-butylurea
  • 1-(1,2-benzothiazol-3-yl)-3-tert-butylurea
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 3,3-dimethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-one
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • methyl 6-acetyl-2-(3-methoxy-1-methyl-1H-pyrazole-4-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate