β-Naphthoflavone

Suppliers

Names

[ CAS No. ]:
6051-87-2

[ Name ]:
β-Naphthoflavone

[Synonym ]:
3-phenylbenzo[f]chromen-1-one
1H-Naphtho[2,1-b]pyran-1-one, 3-phenyl-
MFCD00064288
EINECS 227-958-4
b-Naphthoflavone
BIDD:ER0570
3-Phenyl-1H-benzo[f]chromen-1-one
β-Naphthoflavone
5,6-Benzoflavone
b-NF
beta-naphthoflavone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
460.9±45.0 °C at 760 mmHg

[ Melting Point ]:
185-189 °C

[ Molecular Formula ]:
C19H12O2

[ Molecular Weight ]:
272.30

[ Flash Point ]:
215.8±22.3 °C

[ Exact Mass ]:
272.083740

[ PSA ]:
30.21000

[ LogP ]:
4.79

[ Appearance of Characters ]:
yellow to tan

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.695

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL6200000
CHEMICAL NAME :
1H-Naphtho(2,1-b)pyran-1-one, 3-phenyl-
CAS REGISTRY NUMBER :
6051-87-2
BEILSTEIN REFERENCE NO. :
0018991
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C19-H12-O2
MOLECULAR WEIGHT :
272.31
WISWESSER LINE NOTATION :
T B666 CV FOJ ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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#03239 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
450 mg/kg/3D-I
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins
REFERENCE :
HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 11,580,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
600 mg/kg/4D-I
TOXIC EFFECTS :
Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 15,93,1985 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
120 mg/kg
SEX/DURATION :
female 8-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 24,1,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
80 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 7,159,1987

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

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

[ Hazard Codes ]:
Xn,Xi,C,F

[ Risk Phrases ]:
22-34-11

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
QL6200000

[ HS Code ]:
2914399090

Synthetic Route

Precursor & DownStream

Precursor

  • 3-phenyl-1-(2'-hydroxynaphthyl)-2-propen-1-one
  • 1-(2-tert-butyldimethylsilyloxynaphthalen-1-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-2-propen-1-one
  • 1-(1'-Hydroxynaphthyl)-3-phenylpropan-1,3-dione
  • methylpiperazine
  • 1-(2-tert-butyldimethylsilyloxynaphthalen-1-yl)-3-phenyl-2-propyn-1-one
  • BETA-NAPHTHOFLAVANONE
  • Benzaldehyde
  • 1-(2-hydroxy-1-naphthyl)ethan-1-one
  • Benzoic anhydride
  • Ethyl 3-oxo-3-phenylpropanoate

DownStream

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%

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Related Compounds

  • β-Naphthoflavone-CH2-Br
  • β-Hydroxybutyric acid
  • β-(o-hydroxyphenylamino)vinyl methyl ketone
  • β-chlorobenzenepropanoic acid ethyl ester
  • β-D-Glucopyranose, 1-[9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate]
  • β-(E)-acaridiol