Bergapten

Suppliers

Names

[ CAS No. ]:
484-20-8

[ Name ]:
Bergapten

[Synonym ]:
Geralen
Heraclin
Bergapten
EINECS 207-604-5
4-MOP
Bergaptan
MFCD00010272
4-Methoxyfuro[3,2-g]benzopyrane-7-one,5-Methoxypsoralen,Bergapten
7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-
MAJUDIN
4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one
5-Methoxypsoralen
4-Methoxyfuro[3,2-g]Benzopyran-7-One
5-MOP
5-19-06-00004 (Beilstein Handbook Reference)
4-Methoxy-furo[3,2-g]chromen-7-one
Psoraderm
4-Methoxy-7H-furo[3,2-g]chromen-7-one

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
412.4±45.0 °C at 760 mmHg

[ Melting Point ]:
190-193 °C(lit.)

[ Molecular Formula ]:
C12H8O4

[ Molecular Weight ]:
216.189

[ Flash Point ]:
203.2±28.7 °C

[ Exact Mass ]:
216.042252

[ PSA ]:
52.58000

[ LogP ]:
2.00

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

[ Index of Refraction ]:
1.635

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents. May be light sensitive.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV1300000
CHEMICAL NAME :
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-
CAS REGISTRY NUMBER :
484-20-8
BEILSTEIN REFERENCE NO. :
0019560
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C12-H8-O4
MOLECULAR WEIGHT :
216.20
WISWESSER LINE NOTATION :
T C566 DO LVOJ HO1

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 :
>30 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
9 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
204 gm/kg/52W-I
TOXIC EFFECTS :
Behavioral - fluid intake Endocrine - evidence of thyroid hyperfunction Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
800 mg/kg/8D-I
TOXIC EFFECTS :
Behavioral - sleep Behavioral - food intake (animal) Skin and Appendages - dermatitis, irritative (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
4368 mg/kg/13W-I
TOXIC EFFECTS :
Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5600 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6720 mg/kg
SEX/DURATION :
female 7-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
900 mg/kg
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 25,302,1995 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,242,1987 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,327,1986 IARC Cancer Review:Group 2A IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,242,1987

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H334-H340-H350

[ Precautionary Statements ]:
P201-P261-P308 + P313

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R43

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
UN 1759

[ WGK Germany ]:
2

[ RTECS ]:
LV1300000

[ HS Code ]:
2932999099

Synthetic Route

Precursor & DownStream

Precursor

  • Phloroglucinol
  • flamenol
  • 5-Methoxy-7-hydroxycoumarin
  • 7-hydroxy-8-iodo-5-methoxychromene-2-one
  • 2-(8-iodo-5-methoxy-2-oxochromen-7-yloxy)ethanal
  • 7-(2,3-dihydroxypropoxy)-8-iodod-5-methoxychromen-2-one
  • Bergaptol
  • Dimethyl sulfate

DownStream

  • Bergaptol
  • Isoimperatorin
  • PAP-1
  • Oxypeucedanin
  • Bergamotine
  • methyl iodide
  • 7-hydroxy-5-methoxy-2-oxo-chromene-6-carbaldehyde
  • Phloroglucinol
  • 6',7'-DIHYDROXYBERGAMOTTIN
  • Oxypeucedanin hydrate

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • Bergapten-d3