Etocrilene

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Names

[ CAS No. ]:
5232-99-5

[ Name ]:
Etocrilene

[Synonym ]:
Ethyl α-cyan-β,β-diphenylacrylate
Ethyl α-cyano-β-phenylcinnamate
Etocrilene
MFCD00027364
Ethyl 2-cyano-3,3-diphenylacrylate
Ethyl α-cyano-β,β-diphenylacrylate
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester
EINECS 226-029-0
2-Cyano-3,3-diphenyl-2-propenoic acid ethyl ester
ethyl 2-cyano-3,3-diphenylprop-2-enoate
Acrylic acid, 2-cyano-3,3-diphenyl-, ethyl ester (8CI)
2-Cyano-3,3-diphenylacrylic acid ethyl ester

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
407.6±33.0 °C at 760 mmHg

[ Melting Point ]:
97-99 °C(lit.)

[ Molecular Formula ]:
C18H15NO2

[ Molecular Weight ]:
277.317

[ Flash Point ]:
199.4±12.1 °C

[ Exact Mass ]:
277.110291

[ PSA ]:
50.09000

[ LogP ]:
4.52

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.578

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AT6200000
CHEMICAL NAME :
Acrylonitrile, 3,3-dicyclopropyl-2-(ethoxycarbonyl)-
CAS REGISTRY NUMBER :
5232-99-5
BEILSTEIN REFERENCE NO. :
1885803
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C18-H15-N-O2
MOLECULAR WEIGHT :
277.34
WISWESSER LINE NOTATION :
L3TJ AYUYCN&VO2&- AL3TJ

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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9299 No. of Facilities: 181 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 878 (estimated) No. of Female Employees: 50 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335-H410

[ Precautionary Statements ]:
P261-P273-P305 + P351 + P338-P501

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

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38;R50/53

[ Safety Phrases ]:
S26-S36-S60-S61

[ RIDADR ]:
UN 3077 9/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
AT6200000

[ Hazard Class ]:
9.0

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzophenone
  • Ethyl cyanoacetate
  • Benzophenoneimine
  • Ammonium acetate
  • acetic acid
  • benzene

DownStream

  • 3,3-Diphenylacrylonitrile
  • 2-Cyano-3,3-diphenylpropenoic acid
  • 2-cyano-3,3-diphenylprop-2-enoyl chloride
  • octocrylene

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • N-[amino({[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl}sulfanyl)methylidene]guanidine hydrochloride
  • CID 137942288
  • Tert-butyl (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
  • Tert-butyl 4-amino-2-nitrobenzoate
  • 4-Bromo-5-(phenylmethoxycarbonylamino)thiophene-2-carboxylic acid
  • 3-(3-Methoxypropyl)bicyclo[1.1.1]pentane-1-carboxylic acid
  • 3-(2,3-Dimethylphenyl)bicyclo[1.1.1]pentan-1-amine
  • 3-(2-Fluoro-6-methylphenyl)bicyclo[1.1.1]pentan-1-amine
  • 1-Iodo-3-(2,4,6-trimethylphenyl)bicyclo[1.1.1]pentane
  • 1-(2-Chloro-5-fluorophenyl)-3-iodobicyclo[1.1.1]pentane
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