2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile
Basic information
- CAS
23023-16-7- Standard SMILES
COc1ccc(C(C)(C)C#N)cc1OC- InChIKey
OEWDSMNBHDNSTP-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)-2-methylpropanenitrile
- IUPAC
- 2-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
- English name
- 2-(3,4-DIMETHOXYPHENYL)-2-METHYLPROPANENITRILE
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.26
Names & synonyms
2-(3,4-dimethoxyphenyl)-2-methylpropanenitrile23023-16-7MFCD110365942-(3,4-dimethoxyphenyl)-2-methylpropionitrileBenzeneacetonitrile, 3,4-dimethoxy-alpha,alpha-dimethyl-2-(3,4-dimethoxyphenyl)-2-methyl-propanenitrileSCHEMBL601637DTXSID10436891OEWDSMNBHDNSTP-UHFFFAOYSA-NYAA02316AKOS010214105AS-36493
Show more names
2-(3,4-dimethoxyphenyl)-2-methylpropylnitrile3,4-Dimethoxy-α,α-dimethylbenzeneacetonitrileBenzeneacetonitrile, 3,4-dimethoxy-α,α-dimethyl-
DB-346051CS-0308002EN300-104265F302464Benzeneacetonitrile, 3,4-dimethoxy-|A,|A-dimethyl-3,4-Dimethoxy-alpha,alpha-dimethylbenzeneacetonitrileZ725146228
Database identifiers
- CAS
23023-16-7- PubChem CID
- 10219898
- DTXSID
DTXSID10436891- EC Number
- 172-913-3
- Nikkaji
- J1.259.846G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 130 · 130-140 °C(Press: 4 Torr)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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