Basic information
- CAS
5325-95-1- Standard SMILES
N#CCCOC(=O)c1ccccc1- InChIKey
HABHYLALRAEBKY-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 2-Cyanoethyl benzoate
- IUPAC
- 2-cyanoethyl benzoate
Names & synonyms
2-cyanoethyl benzoate5325-95-1DTXSID20967803RefChem:470740DTXCID901395398997-152-1NSC237cyanoethyl benzoateHYDRACRYLONITRILE, BENZOATE2-cyanoethylbenzoateSCHEMBL7761107SCHEMBL8593915
Show more names
NSC-237FAA32595AKOS029458701EN300-138100G23882Z54336333
Database identifiers
- CAS
5325-95-1- PubChem CID
- 219225
- DTXSID
DTXSID20967803- EC Number
- 997-152-1
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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