7-(Diethylamino)-4-methyl-2H-chromen-2-one

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Names

[ CAS No. ]:
91-44-1

[ Name ]:
7-(Diethylamino)-4-methyl-2H-chromen-2-one

[Synonym ]:
COUMARIN 1
UVITEX WGS
aclarat8678
Coumalux
c47
7d4mc
COUMARIN I
7-NEt2-4-CH3-coumarin
7-Diethylamino-4-methylcoumarin
Coumarin 460
2H-1-Benzopyran-2-one, 7- (diethylamino)-4-methyl-
T66 BOVJ E1 IN2&2
7-(Diethylamino)-4-methyl-2H-chromen-2-one
Coumarin, 7-(diethylamino)-4-methyl-
2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-
MFCD00006864
hakkolp
EINECS 202-068-9

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
391.7±37.0 °C at 760 mmHg

[ Melting Point ]:
72-75 °C

[ Molecular Formula ]:
C14H17NO2

[ Molecular Weight ]:
231.290

[ Flash Point ]:
152.0±17.4 °C

[ Exact Mass ]:
231.125931

[ PSA ]:
33.45000

[ LogP ]:
4.15

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.574

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN6370000
CHEMICAL NAME :
Coumarin, 7-diethylamino-4-methyl-
CAS REGISTRY NUMBER :
91-44-1
BEILSTEIN REFERENCE NO. :
0193303
LAST UPDATED :
199803
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C14-H17-N-O2
MOLECULAR WEIGHT :
231.32
WISWESSER LINE NOTATION :
T66 BOVJ E1 IN2&2

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 :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MVCRB3 MVC-Report. (Stockholm, Sweden) No.1-2, 1972-73. Discontinued. Volume(issue)/page/year: 2,193,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
SRTCAC Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989
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#03230 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9410 No. of Facilities: 1470 (estimated) No. of Industries: 11 No. of Occupations: 18 No. of Employees: 21642 (estimated) No. of Female Employees: 8996 (estimated)

Safety Information

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21;R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
GN6370000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • 3-(diethylamino)phenol
  • Indole
  • 3-iodo-4-methyl-7-diethylaminocoumarin
  • Imidazole
  • Benzimidazole
  • Thiophene(SIV)
  • phenylene-ethylene
  • Pyridine
  • 1-Methylpyrrole

DownStream

  • 7-diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin
  • 7-Amino-4-methylcoumarin
  • 7-(ETHYLAMINO)-4-METHYLCOUMARIN
  • 7-(ethylamino)-2-benzopyrone
  • 1-endo-cyano-8b-methyl-6-diethylamino-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one
  • 1-endo-butoxy-8b-methyl-6-diethylamino-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one
  • 3-nitro-4-methyl-7-diethylamino-2H-benzopyran-2-one
  • 7-(Diethylamino)-4-(hydroxymethyl)-2H-chromen-2-one
  • 7-[ethyl(1-hydroperoxyethyl)amino]-4-methylchromen-2-one
  • 7-(diethylamino)-4-methylchromene-2-thione

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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Related Compounds

  • 7-(Diethylamino)-4-methyl-2H-chromen-2-one
  • 3-bromo-7-(diethylamino)-4-methyl-2H-chromen-2-one
  • Sodium sulfate 7-(diethylamino)-4-methyl-2H-chromen-2-one (2:1:1)
  • 3-(4-acetamidophenyl)-7-diethylamino-4-methyl-2H-chromen-2-one
  • 7-(diethylamino)-4-methyl-3-(pyridin-4-yl)-2H-chromen-2-one
  • 7-(diethylamino)-4-methyl-3-(pyridin-3-yl)-2H-chromen-2-one
  • 2-(4-methoxy-1H-indol-1-yl)-N-[2-(4-pyridyl)ethyl]acetamide
  • 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
  • 2-[(5-Chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
  • 2-[(3,4-Dichlorophenyl)methyl]-2-methylpyrrolidine
  • N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
  • 4-[1-(propan-2-yl)-1H-indol-3-yl]-N-(1,3-thiazol-2-yl)butanamide
  • N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
  • 2-[(4-Iodophenyl)methyl]-2-methylpyrrolidine
  • 1-(4-Methylpiperazin-1-yl)-3-[6-(propan-2-yloxy)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
  • N-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
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