gamma-Ethoxybenzenebutanenitrile
Basic information
- CAS
71172-39-9- Standard SMILES
CCOC(CCC#N)c1ccccc1- InChIKey
IUTOHCPJTMZSKI-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- gamma-Ethoxybenzenebutanenitrile
- IUPAC
- 4-ethoxy-4-phenylbutanenitrile
- English name
- gamma-ethoxybenzenebutyronitrile
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
DTXSID001309782gamma-EthoxybenzenebutanenitrileRefChem:639585DTXCID7017396514-ethoxy-4-phenylbutanenitrile71172-39-9gamma-Ethoxybenzenebutyronitrile4-ETHOXY-4-PHENYLBUTYRONITRILE4-Ethoxy-4-phenyl-MutyronitrileNSC62698EINECS 275-229-4I(3)-Ethoxybenzenebutanenitrile
Show more names
γ-EthoxybenzenebutanenitrileBenzenebutanenitrile, γ-ethoxy-
NSC 62698NSC-62698AKOS006345756NS00061633
Database identifiers
- CAS
71172-39-9- PubChem CID
- 97967
- DTXSID
DTXSID001309782- EC Number
- 275-229-4
- Nikkaji
- J308.728J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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