1-Cyclopentyl-2-ethynylbenzene
Basic information
- CAS
2763756-61-0- Standard SMILES
C#Cc1ccccc1C1CCCC1- InChIKey
JSZCUCWCNPABGN-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1-Cyclopentyl-2-ethynylbenzene
- IUPAC
- 1-cyclopentyl-2-ethynylbenzene
Names & synonyms
1-cyclopentyl-2-ethynylbenzene2763756-61-0SCHEMBL28910683EN300-37357152
Database identifiers
- CAS
2763756-61-0- PubChem CID
- 101484150
- EC Number
- 181-170-4
- Nikkaji
- J2.750.467A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
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
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, 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 CategoriesAsp. Tox. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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