2-Benzylquinoline
Basic information
- CAS
1745-77-3- Standard SMILES
c1ccc(Cc2ccc3ccccc3n2)cc1- InChIKey
LLVHFJHCODIQJH-UHFFFAOYSA-N- Molecular formula
- C16H13N
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.10479942
Names & identifiers
- Preferred name
- 2-Benzylquinoline
- IUPAC
- 2-benzylquinoline
- English name
- 2-Benzylquinoline
- Molecular formula
- C16H13N
- Molecular weight
- 219.28
Names & synonyms
2-Benzylquinoline1745-77-3Quinoline, 2-(phenylmethyl)-PhenylchinaldinSCHEMBL3253637SCHEMBL7369917SCHEMBL19025914DTXSID90169837LLVHFJHCODIQJH-UHFFFAOYSA-NBAA74577MFCD08166340AKOS016007468
Show more names
2-(Phenylmethyl)quinoline
SB69516SY020898DB-409182CS-0256774EN300-651691G91895F669075
Database identifiers
- CAS
1745-77-3- PubChem CID
- 137191
- DTXSID
DTXSID90169837- EC Number
- 113-504-1
- Nikkaji
- J80.303K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 170 · 170-175 °C
- Boiling point
- 212 · 212-213 °C
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 5.17 · 5.17±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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