2-Phenylindene
Basic information
- CAS
4505-48-0- Standard SMILES
C1=C(c2ccccc2)Cc2ccccc21- InChIKey
BSBXLZYWGGAVHD-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Phenylindene
- IUPAC
- 2-phenyl-1H-indene
- English name
- 2-Phenylindene
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
2-Phenyl-1H-indene2-Phenylindene4505-48-01H-Indene, 2-phenyl-2-phenyl indeneIndene, 2-phenyl-NSC-601810BIC9RKL9H0DTXSID70326562RefChem:89088DTXCID60277675MFCD00239514
Show more names
2-Phenylindene 97%1H-INDENE,2-PHENYL-
2-phenyl-indene2-phenyl-inden2-Phenylindene, 97%2-Phenyl-1H-indene #SCHEMBL217273SCHEMBL225013SCHEMBL319265SCHEMBL22635695
Database identifiers
- CAS
4505-48-0- PubChem CID
- 353435
- DTXSID
DTXSID70326562- UNII
- BIC9RKL9H0
- Nikkaji
- J133.780G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 157 · 157-161 °C (lit.)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- 1S/C15H12/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-10H,11H2
- InChIKey
- BSBXLZYWGGAVHD-UHFFFAOYSA-N
- SMILES
- C1c2ccccc2C=C1c3ccccc3
- FDA UNII
- 9 RKL9H0 · BIC9RKL9H0
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 290 · H290-H302-H314-H360
- Precautionary statements
- 201 · P201-P202-P260-P264b-P270-P271-P281-P304+P340-P305+P351+P338-P310-P330-P331-P363-P390-P402-P403+P233-P406b-P501c
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H290-H302-H314-H360
- Precautionary statements
- P201-P202-P260-P264b-P270-P271-P281-P304+P340-P305+P351+P338-P310-P330-P331-P363-P390-P402-P403+P233-P406b-P501c
Related reactions
18 records
Compound notes
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