2-(4-Ethynylphenyl)pyridine
Basic information
- CAS
871012-92-9- Standard SMILES
C#Cc1ccc(-c2ccccn2)cc1- InChIKey
ZBCIJCCTSYYNKM-UHFFFAOYSA-N- Molecular formula
- C13H9N
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.07349929
Names & identifiers
- Preferred name
- 2-(4-Ethynylphenyl)pyridine
- IUPAC
- 2-(4-ethynylphenyl)pyridine
Names & synonyms
2-(4-Ethynylphenyl)pyridine871012-92-92-(4-acetylenylphenyl)pyridineSCHEMBL4906246Pyridine, 2-(4-ethynylphenyl)-ZBCIJCCTSYYNKM-UHFFFAOYSA-NAKOS040815739H58361EN300-1216580A1-32652F2167-5103
Database identifiers
- CAS
871012-92-9- PubChem CID
- 86084841
- EC Number
- 118-391-2
- Nikkaji
- J2.190.520H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
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)
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%)
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Related reactions
4 records
Compound notes
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