7-Methoxycoumarin

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Names

[ CAS No. ]:
531-59-9

[ Name ]:
7-Methoxycoumarin

[Synonym ]:
Coumarin, 7-methoxy-
Herniarin
7-Methoxycoumarin
Coumarin, 7-methoxy- (8CI)
Methyl umbelliferyl ether
EINECS 208-513-3
7-methoxychromen-2-one
7-Methoxy-2H-chromen-2-one
2H-1-Benzopyran-2-one, 7-methoxy-
Herniarin (6CI)
MFCD00006876

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
335.3±37.0 °C at 760 mmHg

[ Melting Point ]:
117-121 °C(lit.)

[ Molecular Formula ]:
C₁₀H₈O₃

[ Molecular Weight ]:
176.169

[ Flash Point ]:
138.6±21.1 °C

[ Exact Mass ]:
176.047348

[ PSA ]:
39.44000

[ LogP ]:
1.78

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

[ Index of Refraction ]:
1.572

[ Water Solubility ]:
MISCIBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ3100380

CHEMICAL NAME :: 2H-1-Benzopyran-2-one, 7-methoxy-

CAS REGISTRY NUMBER :: 531-59-9

BEILSTEIN REFERENCE NO. :: 0141728

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H8-O3

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 :: 4300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DJ3100380

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

7-Hydroxycoumarine
Dimethyl sulfate
methyl iodide
m-Methoxyphenol
Ethyl propiolate
2-Hydroxy-4-methoxybenzaldehyde
3-oxo-3-phenylsulfanylpropanoic acid
butyl acrylate

DownStream

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate
6-METHOXYBENZOFURAN-2-CARBOXYLIC ACID
7-methoxy-3,4-dihydrochromen-2-one
7-Hydroxycoumarine
7-Methoxy-4-methylcoumarin
Ethyl (E)-3-(2-Hydroxy-4-methoxyphenyl)acrylate
2-(2-aminopropan-2-yl)furo[3,2-g]chromen-7-one
2H-1-Benzopyran,7-methoxy-2,2-dimethyl-
2-Isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
7-Methoxy-3-phenyl-2H-chromen-2-one

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-Methoxycoumarin
6-Iodo-7-methoxycoumarin
8-Iodo-7-methoxycoumarin
3-amino-7-methoxycoumarin
6-bromo-7-methoxycoumarin
8-allyl-7-methoxycoumarin
{[1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]oxy}acetic acid
5,6-Dihydro-3-methyl-4H-cyclopenta[b]thiophene-4-thione
6-(2-Fluoropropan-2-yl)pyrazin-2-amine
4-Fluorobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
1-[(2-Methoxyethoxy)methyl]-3-(prop-2-en-1-yl)benzene
3-Chlorobutane-1-sulfinamide
3,5-diethyl-3-methyl-2,3-dihydro-1H-indole
2-(1-Cyanocyclopropyl)-4-(trifluoromethyl)benzoic acid
1-(2-Aminoethyl)spiro[3.4]octan-1-ol
2-(1-Cyanocyclopropyl)-3-fluoro-4-(trifluoromethyl)benzoic acid

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