gamma-Ethoxy-4-methylbenzenebutanenitrile
Basic information
- CAS
83898-14-0- Standard SMILES
CCOC(CCC#N)c1ccc(C)cc1- InChIKey
XNTCRZPEWZRCPA-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- gamma-Ethoxy-4-methylbenzenebutanenitrile
- IUPAC
- 4-ethoxy-4-(4-methylphenyl)butanenitrile
- English name
- gamma-ethoxy-4-methylbenzenebutyronitrile
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
DTXSID301288575gamma-Ethoxy-4-methylbenzenebutanenitrileRefChem:639584DTXCID0017192104-ethoxy-4-(4-methylphenyl)butanenitrile83898-14-0gamma-Ethoxy-4-methylbenzenebutyronitrile4-Ethoxy-4-P-Tolyl-ButyronitrileNSC62702EINECS 281-222-7NSC 62702NSC-62702
Show more names
γ-Ethoxy-4-methylbenzenebutyronitrileγ-Ethoxy-4-methylbenzenebutanenitrileBenzenebutanenitrile, γ-ethoxy-4-methyl-
AKOS024323016I(3)-Ethoxy-4-methylbenzenebutanenitrile4-ETHOXY-4-(P-TOLYL)-BUTYRONITRILENS00062255
Database identifiers
- CAS
83898-14-0- PubChem CID
- 97969
- DTXSID
DTXSID301288575- EC Number
- 281-222-7
- Nikkaji
- J307.980E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
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
Suppliers
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Related reactions
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Compound notes
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