1,3-INDANDIONE

Modify Date: 2025-08-20 15:52:09

1,3-INDANDIONE Structure
1,3-INDANDIONE structure
Common Name 1,3-INDANDIONE
CAS Number 606-23-5 Molecular Weight 146.143
Density 1.3±0.1 g/cm3 Boiling Point 302.5±22.0 °C at 760 mmHg
Molecular Formula C9H6O2 Melting Point 129-132 °C(lit.)
MSDS Chinese USA Flash Point 113.0±19.3 °C

 Names

Name 1,3-indandione
Synonym More Synonyms

 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
InChIKey UHKAJLSKXBADFT-UHFFFAOYSA-N
SMILES O=C1CC(=O)c2ccccc21

 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

 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%

 Articles15

More 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...

 1,3-INDANDIONEBioassay

View more

Name: Inhibition of recombinant Curvularia lunata trihydroxynaphthalene reductase
Source: ChEMBL
Target: N/A
External Id: CHEMBL956510
Name: Cysteine reactivity assessed as cysteine oxidation
Source: ChEMBL
Target: N/A
External Id: CHEMBL4351049
Name: Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum choleste...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL714780
Name: Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum choleste...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL714782
Name: Antitumor activity against mouse ascites Sarcoma 180 cells allografted in ddN mouse a...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3283345
Name: Inhibition of rabbit liver carboxylesterase expressed in sf21 cells up to 100 uM
Source: ChEMBL
Target: N/A
External Id: CHEMBL918633
Name: Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum triglyce...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL714783
Name: In vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells.
Source: ChEMBL
Target: Polyunsaturated fatty acid 5-lipoxygenase
External Id: CHEMBL619987
Name: Inhibition of human intestinal carboxylesterase expressed in sf21 cells up to 100 uM
Source: ChEMBL
Target: N/A
External Id: CHEMBL918631
Name: Inhibition of human liver CE1 expressed in sf21 cells up to 100 uM
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL918632
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 Synonyms

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