Indan-1,3-dion

1,3-Indandione

HCID 11815CAS 606-23-5
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Grundinformationen

Standard-SMILES
O=C1CC(=O)c2ccccc21
InChIKey
UHKAJLSKXBADFT-UHFFFAOYSA-N
Summenformel
C9H6O2
Durchschnittliche Molmasse
146,14 g/mol
Monoisotopische Masse
146,03677943

Überblick

1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is a member of indanones, a beta-diketone and an aromatic ketone.

Namen und Bezeichner

Bevorzugter Name
1,3-Indandione
IUPAC
indene-1,3-dione
Lokaler Name
Indan-1,3-dion
Englischer Name
1,3-Indanedione
Summenformel
C9H6O2
Molmasse
146.14

Namen und Synonyme

1,3-Indanedione1,3-INDANDIONE606-23-51H-Indene-1,3(2H)-dione1,3-DiketohydrindeneIndan-1,3-dione1,3-Indanone4DJN7YG35GNSC-6312NSC-26329J7.003CDTXSID2060547
Weitere Namen anzeigen
Indandione1,3-DIOXOINDANEAURORA KA-73651,3-Dioxoindan
CHEBI:78877RefChem:72848DTXCID4042838210-109-7indane-1,3-dioneindene-1,3-dioneMFCD00003779Diketohydrindene

Datenbank-Bezeichner

CAS
606-23-5
PubChem CID
11815
DTXSID
DTXSID2060547
ChEMBL
CHEMBL283521
ChEBI
CHEBI:78877
UNII
4DJN7YG35G
EC Number
210-109-7
Nikkaji
J7.003C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
34,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials PropertiesChemical shift
LogP0.61
Vapor Pressure0.00172 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
129 · 129-132 °C (lit.)
Siedepunkt
205.74 °C · 205.74°C (rough estimate)
Dichte
1 · 1,37 g/cm3
Brechungsindex
1.5049 · 1.5049 (estimate)
storage temp.
30 °C · Store below +30°C.
Aggregatzustand
Powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1H-Indene-1,3(2H)-dione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryIntraperitoneal LDLo (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Ninhydrin. See C.I. Solvent Yellow 33 and Valone.
Hazard Classes and CategoriesAcute Tox. 4 (40%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29143900
RTECS-Nr.
NK5070000
risk_code
33-36/37/38
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Indene-1,3(2H)-dione: ACTIVE

Anwendungen

VerwendenIt is used in the first stage of forensic identification of latent fingerprints. It is particularly useful for paper, and for items printed with thermal inks such as receipts.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.

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