Basic information
- CAS
606-23-5- Standard SMILES
O=C1CC(=O)c2ccccc21- InChIKey
UHKAJLSKXBADFT-UHFFFAOYSA-N- Molecular formula
- C9H6O2
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.03677943
Overview
1,3-indandione is a member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.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.
Names & identifiers
- Preferred name
- 1,3-Indandione
- IUPAC
- indene-1,3-dione
- English name
- 1,3-Indanedione
- Molecular formula
- C9H6O2
- Molecular weight
- 146.14
Names & synonyms
1,3-Indanedione1,3-INDANDIONE606-23-51H-Indene-1,3(2H)-dione1,3-DiketohydrindeneIndan-1,3-dione1,3-Indanone4DJN7YG35GNSC-6312NSC-26329J7.003CDTXSID2060547
Show more names
Indandione1,3-DIOXOINDANEAURORA KA-73651,3-Dioxoindan
CHEBI:78877RefChem:72848DTXCID4042838210-109-7indane-1,3-dioneindene-1,3-dioneMFCD00003779Diketohydrindene
Database identifiers
- CAS
606-23-5- PubChem CID
- 11815
- DTXSID
DTXSID2060547- ChEMBL
CHEMBL283521- ChEBI
CHEBI:78877- UNII
- 4DJN7YG35G
- EC Number
- 210-109-7
- Nikkaji
- J7.003C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- 129 · 129-132 °C (lit.)
- Boiling point
- 205.74 °C · 205.74°C (rough estimate)
- Density
- 1 · 1,37 g/cm3
- refractive index
- 1.5049 · 1.5049 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- Powder
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NK5070000
- hs_code
- 29143900
- risk_code
- 33-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39-27-26
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene-1,3(2H)-dione: ACTIVE
Applications
UsesIt 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.
Upstream & downstream products
Downstream products
Suppliers100 total
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
Related reactions
38 records
Compound notes
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