Basic information
- CAS
3817-96-7- Standard SMILES
O=C1c2ccccc2C(=O)C1(Cl)c1ccccc1- InChIKey
WLIOLLJVNICKAO-UHFFFAOYSA-N- Molecular formula
- C15H9ClO2
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.0291072
Overview
See also: 2-Chloro-2-phenyl-indan-1,3-dione (annotation moved to).
Names & identifiers
- Preferred name
- 2-Chloro-2-phenyl-1H-indene-1,3(2H)-dione
- IUPAC
- 2-chloro-2-phenylindene-1,3-dione
- English name
- 2-Chloro-2-phenylindane-1,3-dione
- Molecular formula
- C15H9ClO2
- Molecular weight
- 256.68
Names & synonyms
3817-96-72-Chloro-2-phenyl-1H-indene-1,3(2H)-dione2-chloro-2-phenylindane-1,3-dione2-chloro-2-phenylindene-1,3-dione2-Chloro-2-phenylindan-1,3-dioneNSC508520DTXSID60325463WLIOLLJVNICKAO-UHFFFAOYSA-NAKOS000369865NSC-508520ST012455CS-0116881
Show more names
1H-Indene-1,3(2H)-dione, 2-chloro-2-phenyl-
2-Chloro-2-phenyl-1H-indene-1,3(2H)-dione #2-chloro-2-phenyl-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
Database identifiers
- CAS
3817-96-7- PubChem CID
- 350195
- DTXSID
DTXSID60325463
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 416 · 416.0±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914199090 · 2914199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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