Basic information
- CAS
52250-50-7- Standard SMILES
c1ccc(C2=NCCc3ccccc32)cc1- InChIKey
CTOQBSUYGFNMJX-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 1-Phenyl-3,4-dihydroisoquinoline
- IUPAC
- 1-phenyl-3,4-dihydroisoquinoline
- English name
- 1-Phenyl-3,4-dihydroisoquinoline
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
1-Phenyl-3,4-dihydroisoquinoline52250-50-7Isoquinoline, 3,4-dihydro-1-phenyl-96YVC3YJ6ADTXSID70346144RefChem:76954DTXCID60297217848-404-3CTOQBSUYGFNMJX-UHFFFAOYSA-N1-Phenyl-3,4-dihydro-isoquinolineMFCD01817309Solifenacin Impurity B
Show more names
Solifenacin USP IMpurity 61-phenyl-3,4-dihydroisochinoline3,4-Dihydro-1-phenylisoquinoline HClSolifenacin Related Compound-4/Imp-4
AKOS 213-2533,4-Dihydro-1-phenylisoquinoline3,4-Dihydro-1-phenylisoquinoline; 1-Phenyl-3,4-dihydroisoquinoline;A1BGDUNII-96YVC3YJ6ASCHEMBL163051Phenyl-3,4-dihydroisoquinolineSolifenacin Related Compound 6
Database identifiers
- CAS
52250-50-7- PubChem CID
- 609926
- DTXSID
DTXSID70346144- ChEMBL
CHEMBL3303209- UNII
- 96YVC3YJ6A
- EC Number
- 848-404-3
- Nikkaji
- J89.689F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 146 · 146.0-149.5 °C(Press: 1.2 Torr)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- pka
- 5.29 · 5.29±0.20(Predicted)
- color
- Yellow to Dark Yellow
- CAS DataBase Reference
- 52250 · 52250-50-7(CAS DataBase Reference)
- FDA UNII
- 96 YVC3YJ6A · 96YVC3YJ6A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Phenyl-3,4-dihydro-isoquinoline is used in preparation of 1,2,3,4-Tetrahydro-2-methyl-1-phenyl-1-isoquinolinecarbonitrile derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
9 records
Compound notes
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