Basic information
- CAS
6682-71-9- Standard SMILES
Cc1ccc(C)c2c1CCC2- InChIKey
IWHKMCQFAMHMSX-UHFFFAOYSA-N- Molecular formula
- C11H14
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.10955045
Names & identifiers
- Preferred name
- 4,7-Dimethylindan
- IUPAC
- 4,7-dimethyl-2,3-dihydro-1H-indene
- English name
- 1H-INDENE,2,3-DIHYDRO-4,7-DIM
- Molecular formula
- C11H14
- Molecular weight
- 146.23
Names & synonyms
4,7-DIMETHYLINDAN6682-71-94,7-Dimethylindane1H-Indene, 2,3-dihydro-4,7-dimethyl-Indan, 4,7-dimethyl-2,3-Dihydro-4,7-dimethyl-1H-indene21FH91HS6ONSC-81389UNII-21FH91HS6ODTXSID10644514,7-Dimethyl-(2,3-dihydroindene)NSC 81389
Show more names
1H-INDENE,2,3-DIHYDRO-4,7-DIM
4,7-Dimethyl-[2,3-dihydroindene]RefChem:96742DTXCID2044844InChI=1/C11H14/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2HIWHKMCQFAMHMSX-UHFFFAOYSA-N4,7-dimethyl-2,3-dihydro-1H-indeneNSC81389MFCD11223164
Database identifiers
- CAS
6682-71-9- PubChem CID
- 23151
- DTXSID
DTXSID1064451- UNII
- 21FH91HS6O
- Nikkaji
- J101.406D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Kovats Retention Index
1248；1253
1282.3；202.26
Physicochemical properties
- Melting point
- -0.52 °C · -0.52°C
- Boiling point
- 225.87 °C · 225.87°C (rough estimate)
- Density
- 0.949 · 0.9490
- refractive index
- 1.5342 · 1.5342
- FDA UNII
- 21 FH91HS6O · 21FH91HS6O
- EPA Substance Registry System
- 4 · 4,7-Dimethylindan (6682-71-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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