3-Phenyl-1-indanone

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Names

[ CAS No. ]:
16618-72-7

[ Name ]:
3-Phenyl-1-indanone

[Synonym ]:
1H-Inden-1-one, 2,3-dihydro-3-phenyl-
3-Phenyl-1-indanone
3-phenyl-2,3-dihydroinden-1-one
3-phenylindan-1-one
MFCD00037722

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
331.0±32.0 °C at 760 mmHg

[ Melting Point ]:
76-78ºC

[ Molecular Formula ]:
C15H12O

[ Molecular Weight ]:
208.255

[ Flash Point ]:
142.3±20.1 °C

[ Exact Mass ]:
208.088821

[ PSA ]:
17.07000

[ LogP ]:
3.46

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.621

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK7538200
CHEMICAL NAME :
1-Indanone, 3-phenyl-
CAS REGISTRY NUMBER :
16618-72-7
BEILSTEIN REFERENCE NO. :
1370263
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H12-O
MOLECULAR WEIGHT :
208.27
WISWESSER LINE NOTATION :
L56 BVT&J DR

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 :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 22,1464,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02960

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

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

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S36/37

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
NK7538200

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,3-Diphenylpropanoic acid
  • 2-(1-phenyl-vinyl)benzaldehyde
  • Cinnamic acid
  • benzene
  • Cinnamic acid
  • (E)-1-(2-bromophenyl)-3-phenylprop-2-en-1-one
  • Benzenemethanol, a-(2-phenylethynyl)-
  • 3,3-diphenylpropanoyl chloride
  • (E)-Chalcone

DownStream

  • 1-Phenyl-1H-indene
  • 2-bromo-3-phenylinden-1-one
  • 2-Hydroxyaethyl-diphenylthioarsinit
  • 2-bromo-3-phenyl-1-indanone
  • 2,3-dibromo-3-phenyl-2H-inden-1-one
  • 1-Phenyl-5-acenaphtheneacetic acid
  • 1-Indanpropionic acid, 3-phenyl-
  • 2,2-dimethyl-5-propan-2-yl-1,3-dioxane-4,6-dione
  • 2,2-dimethyl-5-(3'-phenyl-2',3'-dihydro-1'H-inden-1'-ylidene)-1,3-dioxan-4,6-dione

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Asymmetric total synthesis of (+)-indatraline via diastereoselective amination of chiral ethers using chlorosulfonyl isocyanate. Lee SH, et al.

Tetrahedron 69(7) , 1877-80, (2013)

Thermolysis of substituted indenes. Sigmatropic phenyl and hydrogen migrations. Miller LL and Boyer RF.

J. Am. Chem. Soc. 93(3) , 650-56, (1971)

Koltunov KY.

Tetrahedron Lett. 48(32) , 5631-34, (2007)


More Articles

Related Compounds

  • 2-bromo-3-phenyl-1-indanone
  • 2-Diazo-3-phenyl-1-indanone
  • 7-Fluoro-3-phenyl-1-indanone
  • 2-diazo-3-hydroxy-3-phenyl-1-indanone
  • 3-(p-bromophenyl)-3-phenyl-1-indanone
  • (2Z)-2-(2-Furylmethylene)-3-phenyl-1-indanone
  • 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
  • 4-butoxy-N-(3-(furan-2-yl)-1-(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
  • 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
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide