1-Methyl-3-phenylindane
Basic information
- CAS
6416-39-3- Standard SMILES
CC1CC(c2ccccc2)c2ccccc21- InChIKey
JHIDJKSBZPNVKZ-UHFFFAOYSA-N- Molecular formula
- C16H16
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.12520051
Names & identifiers
- Preferred name
- 1-Methyl-3-phenylindane
- IUPAC
- 1-methyl-3-phenyl-2,3-dihydro-1H-indene
- English name
- 1-methyl-3-phenylindan
- Molecular formula
- C16H16
- Molecular weight
- 208.3
Names & synonyms
1-Methyl-3-phenylindan6416-39-31-METHYL-3-PHENYLINDANEEINECS 229-125-01H-Indene, 2,3-dihydro-1-methyl-3-phenyl-0A7NF417XSIndan, 1-methyl-3-phenyl-2,3-dihydro-1-methyl-3-phenyl-1h-indeneRefChem:434250229-125-01-methyl-3-phenyl-2,3-dihydro-1H-indeneUNII-0A7NF417XS
Show more names
1-Phenyl-3-methylindan1H-INDENE,2,3-DIHYDRO-1-METHY
1-methyl-3-phenyl-indaneIndane, 1-methyl-3-phenyl-SCHEMBL2036589SCHEMBL10541615DTXSID70982667AKOS025296139NS00047609I80577
Database identifiers
- CAS
6416-39-3- PubChem CID
- 22924
- DTXSID
DTXSID70982667- EC Number
- 229-125-0
- Nikkaji
- J101.750K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 0 A7NF417XS · 0A7NF417XS
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1H-Indene, 2,3-dihydro-1-methyl-3-phenyl
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
13 records
Compound notes
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