cyanophenylacetylene

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Names

[ CAS No. ]:
935-02-4

[ Name ]:
cyanophenylacetylene

[Synonym ]:
cyanophenylacetylene
3-phenylprop-2-ynenitrile
3-Phenyl-2-propynenitrile
2-Propynenitrile, 3-phenyl-
2-Propyne nitrile,3-phenyl-(9CI)

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
215.8±23.0 °C at 760 mmHg

[ Molecular Formula ]:
C9H5N

[ Molecular Weight ]:
127.143

[ Flash Point ]:
87.6±16.5 °C

[ Exact Mass ]:
127.042198

[ PSA ]:
23.79000

[ LogP ]:
2.96

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.577

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE0220000
CHEMICAL NAME :
Propiolonitrile, phenyl-
CAS REGISTRY NUMBER :
935-02-4
BEILSTEIN REFERENCE NO. :
0386022
LAST UPDATED :
199706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H5-N
MOLECULAR WEIGHT :
127.15
WISWESSER LINE NOTATION :
NC1UU1R

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 :
113 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHLIDQ Pharmacochemistry Library. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,73,1985
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

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

[ RIDADR ]:
UN 2811 6.1 / PGIII

[ RTECS ]:
UE0220000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Copper cyanide
  • Phenylacetylene
  • 3-Phenylpropiolamide
  • 1-Cyanoimidazole
  • cyanogen iodide
  • 3-Phenyl-2-propyn-1-ol
  • Benzaldehyde
  • Trichloroacetonitrile
  • phenylpropynal
  • (3-azidoprop-1-yn-1-yl)benzene

DownStream

  • 5-Phenyl-1,2-oxazol-3-amine
  • 5-Isoxazolamine,3-phenyl-
  • 3,3-Diphenylacrylonitrile
  • Benzenepropanenitrile
  • 3-Oxo-3-phenylpropanenitrile
  • 2-Phenylbenzothiazole
  • 2-phenyl-1,4,5,6-tetrahydropyrimidine
  • Oxazole, 4,5-dihydro-5-methyl-2-phenyl-
  • 5-phenyl-1H-pyrazol-3-amine
  • 5-amino-1,3-diphenylpyrazole

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

  • 3-cyanophenylacetylene
  • 4-cyanophenylacetylene
  • o-cyanophenylacetylene
  • 4-amino-4-(1H-imidazol-2-yl)cyclohexan-1-ol
  • Ethyl 1,5-dioxaspiro[2.3]hexane-2-carboxylate
  • rac-[(1R,3R)-3-(1-ethenyl-1H-pyrazol-4-yl)-2,2-dimethylcyclopropyl]methanamine
  • 1-({7-Oxabicyclo[2.2.1]heptan-2-yl}methyl)cyclopropan-1-ol
  • (3-Nitrophenyl)methyl sulfamate
  • 4-(hydrazinylmethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
  • 1,1,1-Trifluoro-3-(2-methoxy-6-methylpyridin-4-yl)propan-2-amine
  • (1S)-2-amino-1-[2-(dimethylamino)-5-fluorophenyl]ethan-1-ol
  • rac-(1R,2R)-2-[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]cyclopropan-1-amine
  • 4,4,4-Trifluoro-3-(trifluoromethyl)butane-1-sulfonylchloride
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