6-Phenylquinoline
Basic information
- CAS
612-95-3- Standard SMILES
c1ccc(-c2ccc3ncccc3c2)cc1- InChIKey
OKLKICXAGRLLGF-UHFFFAOYSA-N- Molecular formula
- C15H11N
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.08914936
Names & identifiers
- Preferred name
- 6-Phenylquinoline
- IUPAC
- 6-phenylquinoline
- English name
- 6-phenylquinoline
- Molecular formula
- C15H11N
- Molecular weight
- 205.25
Names & synonyms
6-Phenylquinoline612-95-3EINECS 210-325-1NSC 110287DTXSID70210114RefChem:105237DTXCID70132605210-325-1OKLKICXAGRLLGF-UHFFFAOYSA-NQuinoline, 6-phenyl-MFCD184490756-Phenyl-chinolin
Show more names
SCHEMBL443618SCHEMBL21295847SCHEMBL28135503SCHEMBL28167298NSC110287AKOS015897049NSC-110287SB68869
Database identifiers
- CAS
612-95-3- PubChem CID
- 69168
- DTXSID
DTXSID70210114- EC Number
- 210-325-1
- Nikkaji
- J134.376I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 115 · 115-116℃
- Boiling point
- 360 ℃ · 360℃
- Density
- 1.127 · 1.127
- refractive index
- 1.655 · 1.6550 (estimate)
- Flash point
- 157 ℃ · 157℃
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C15H11N/c1-2-5-12(6-3-1)13-8-9-15-14(11-13)7-4-10-16-15/h1-11H
- InChIKey
- OKLKICXAGRLLGF-UHFFFAOYSA-N
- SMILES
- n1c2c(cc(cc2)c3ccccc3)ccc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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