4-Methyldaphnetin

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Names

[ CAS No. ]:
2107-77-9

[ Name ]:
4-Methyldaphnetin

[Synonym ]:
4-METHYLDAPHNETIN
7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
7,8-Dihydroxy-4-methyl-2H-chromen-2-one
2H-1-Benzopyran-2-one, 7,8-dihydroxy-4-methyl-
EINECS 218-290-4
7,8-dihydroxy-4-methyl-chromen-2-one
7,8-DIHYDROXY-4-METHYLCOUMARIN
4-methyl-7,8-dihydroxycoumarin
Coumarin,7,8-dihydroxy-4-methyl
MFCD00016972
7,8-dihydroxy-4-methyl-2H-2-chromenone
4-Methyldaphnetine

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
421.5±45.0 °C at 760 mmHg

[ Melting Point ]:
242-246 °C(lit.)

[ Molecular Formula ]:
C10H8O4

[ Molecular Weight ]:
192.168

[ Flash Point ]:
176.0±22.2 °C

[ Exact Mass ]:
192.042252

[ PSA ]:
70.67000

[ LogP ]:
1.95

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

[ Index of Refraction ]:
1.652

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN6385000
CHEMICAL NAME :
Coumarin, 7,8-dihydroxy-4-methyl-
CAS REGISTRY NUMBER :
2107-77-9
BEILSTEIN REFERENCE NO. :
0177613
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-O4
MOLECULAR WEIGHT :
192.18
WISWESSER LINE NOTATION :
T66 BOVJ E1 IQ JQ

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#04864

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37

[ WGK Germany ]:
3

[ RTECS ]:
GN6385000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • Pyrogallol
  • Methyl acetoacetate
  • 1,2-Benzenediol
  • methyl (Z)-3-hydroxybut-2-enoate
  • Chlorotrimethylsilane
  • acetic acid
  • (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate
  • Diketene
  • 4μ8C

DownStream

  • (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate
  • 4-methyl-7,8-bis(methylsulfonyloxy)chromen-2-one
  • 7-hydroxy-8-methoxy-4-methylchromen-2-one
  • 7,8-dimethoxy-2-oxochromene-4-carbaldehyde

Customs

[ HS Code ]: 2932209090

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

Related Compounds

  • 3-chloro-4-methyldaphnetin
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • 4-(2-nitroimidazol-1-yl)butane-1,2-diol
  • 4-Iodo-1H-indazole-3-carboxylic acid
  • 4-chlorooxolan-3-ol,formic acid
  • [4-bromo-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridyl]methanol
  • [4-amino-5-(difluoromethyl)-6-iodo-2-pyridyl]methanol
  • 4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
  • 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
  • 4-amino-3-(difluoromethyl)-5-hydroxy-pyridine-2-carbaldehyde
  • 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridyl]acetonitrile
  • 4-amino-5-(difluoromethyl)-6-fluoro-pyridine-2-carbaldehyde
  • 4-amino-5-(difluoromethyl)-6-methoxy-pyridine-3-carboxylic acid
  • 4-amino-2-(difluoromethyl)-6-iodo-pyridine-3-carbaldehyde
  • 4-amino-6-(difluoromethyl)pyridine-2-carboxylic acid
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