1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene

Names

[ CAS No. ]:
2889-58-9

[ Name ]:
1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene

Chemical & Physical Properties

[ Density]:
0.92g/cm3

[ Boiling Point ]:
275.6ºC at 760mmHg

[ Molecular Formula ]:
C13H15NO

[ Molecular Weight ]:
201.26400

[ Flash Point ]:
84ºC

[ Exact Mass ]:
201.11500

[ PSA ]:
29.43000

[ LogP ]:
3.29060

[ Vapour Pressure ]:
0.00504mmHg at 25°C

[ Index of Refraction ]:
1.497

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ9240000
CHEMICAL NAME :
Isocyanic acid, p-isopropenyl-alpha,alpha-dimethylbenzyl ester
CAS REGISTRY NUMBER :
2889-58-9
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H15-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4400 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,159,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,159,1992

Safety Information

[ RIDADR ]:
UN 2206

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ISOCYANIC ACID
  • p-diisopropenylbenzene

DownStream

Related Compounds

  • N-((4-Isopropylthiazol-2-yl)methyl)thietan-3-amine
  • O-[2-(6-methylpyridin-3-yl)propan-2-yl]hydroxylamine
  • (3R)-3-hydroxy-3-(6-methylpyridin-3-yl)propanoic acid
  • 1-methyl-N-(prop-2-yn-1-yl)-1H-indol-5-amine
  • 2-fluoro-4-{[hydroxy(methyl)amino]methyl}-N,N-dimethylaniline
  • (S)-6-Chloro-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyrazine
  • 23-Hydroxy-3,6,9,12,15,18,21-heptaoxatricosyl 11-((tert-butoxycarbonyl)amino)undecanoate
  • 1-(tert-Butoxycarbonyl)-3,3-dimethyl-1,2,3,4-tetrahydro-1,3-azasiline-5-carboxylic acid
  • 4-(1,2,2-Triphenylvinyl)benzimidamide
  • 5'-(4-(Hydrazinecarbonyl)-3-methoxyphenyl)-3,3''-dimethoxy-[1,1':3',1''-terphenyl]-4,4''-dicarbohydrazide
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