1,3-INDANDIONE

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Names

[ CAS No. ]:
606-23-5

[ Name ]:
1,3-INDANDIONE

[Synonym ]:
1,3-INDANDIONE
MFCD00003779
1H-Indene-1,3(2H)-dione
1,3-Indanedione
EINECS 210-109-7

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
302.5±22.0 °C at 760 mmHg

[ Melting Point ]:
129-132 °C(lit.)

[ Molecular Formula ]:
C9H6O2

[ Molecular Weight ]:
146.143

[ Flash Point ]:
113.0±19.3 °C

[ Exact Mass ]:
146.036774

[ PSA ]:
34.14000

[ LogP ]:
1.14

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.610

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK5070000
CHEMICAL NAME :
1,3-Indandione
CAS REGISTRY NUMBER :
606-23-5
BEILSTEIN REFERENCE NO. :
1210061
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H6-O2
MOLECULAR WEIGHT :
146.15
WISWESSER LINE NOTATION :
L56 BV DV CHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,191,1975 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
25 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,191,1975

Safety Information

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R33

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NK5070000

[ Packaging Group ]:
II; III

[ Hazard Class ]:
4.1

[ HS Code ]:
29143900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pinacolone
  • 1,2-BENZENEDICARBOXYLIC ACID,4-CHLORO-,1,2-DIMETHYL ESTER
  • Indane
  • 2,3-Dihydro-1H-inden-1-ol
  • 2-propylindene-1,3-dione
  • 4'-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)spiro[indene-2,3'-oxetane]-1,2',3-trione
  • Benzoyl chloride
  • malonoyl chloride

DownStream

  • N-[2-(hydroxyamino)-3-nitrosoinden-1-ylidene]hydroxylamine
  • 2-(4-oxo-2,3-diphenylindeno[1,2-b]pyrrol-1-yl)ethyl acetate
  • Ninhydrin
  • 1H-Indene-1,2,3-trione
  • 1H-Inden-1-one
  • 1,3-Bis(dicyanomethylene)indan
  • Indane
  • 6,11-DIHYDROXY-5,12-NAPHTHACENEDIONE
  • Chlorophacinone
  • 2-benzhydrylindene-1,3-dione

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%

Articles

Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening.

Bioorg. Med. Chem. 16 , 5881-9, (2008)

Trihydroxynaphthalene reductase (3HNR) is an essential enzyme in the biosynthesis of fungal melanin and it represents an emerging target for the development of new fungicides and antimicotics. To prom...

Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

J. Med. Chem. 50 , 1876-85, (2007)

Carboxylesterases (CE) are ubiquitous enzymes thought to be responsible for the metabolism and detoxification of xenobiotics. Numerous clinically used drugs including Demerol, lidocaine, capecitabine,...

The mobility of troponin C and troponin I in muscle.

J. Mol. Recognit. 10(4) , 194-201, (1997)

In vertebrate skeletal muscle, contraction is initiated by the elevation of the intracellular Ca2+ concentration. The binding of Ca2+ to TnC induces a series of conformational changes which ultimately...


More Articles

Related Compounds

  • 2-diazo-1,3-indandione
  • 2-nitro-1,3-indandione
  • 2-METHYL-1,3-INDANDIONE
  • 2-Acetyl-1,3-indandione
  • 2-chloro-1,3-indandione
  • 2-PHENYL-1,3-INDANDIONE
  • N',N'-dimethyl-2-phenylpropane-1,3-diamine;dihydrochloride
  • 8,8-Dimethyl-2-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-triene
  • 4-[(3-Chloro-4-fluorophenyl)amino]quinazoline-7-carboxylic acid
  • 4-[(3-Chloro-4-fluorophenyl)amino]quinazoline-6-carboxylic acid
  • Tert-butyl[2-(2-iodoethoxy)ethoxy]dimethylsilane
  • Tert-butyl N-[2-(4-bromotriazol-1-yl)ethyl]carbamate
  • 4-Benzyl-5,5-dimethylmorpholine-3-carboxylic acid;hydrochloride
  • Ethyl3-amino-2,2-dimethylbutanoatehydrochloride
  • (1R,2S)-2-Ethenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
  • Ethyl 1-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylate
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