3-(3-Methoxyphenyl)-2-propenenitrile
Basic information
- CAS
28446-69-7- Standard SMILES
COc1cccc(C=CC#N)c1- InChIKey
CDGKYGSIBOJVCY-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-2-propenenitrile
- IUPAC
- 3-(3-methoxyphenyl)prop-2-enenitrile
- English name
- 3-Methoxycinnamonitrile
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
DTXSID1012919363-(3-Methoxyphenyl)-2-propenenitrileRefChem:492104DTXCID301722519112-008-228446-69-73-(3-methoxyphenyl)prop-2-enenitrile3-METHOXYCINNAMONITRILESCHEMBL8928082CDGKYGSIBOJVCY-UHFFFAOYSA-NAKOS017436827m-methoxy-cinnamonitril
Show more names
3-(3-methoxyphenyl)-2-propenenitril2-Propenenitrile, 3-(3-methoxyphenyl)-
Database identifiers
- CAS
28446-69-7- PubChem CID
- 34241
- DTXSID
DTXSID101291936- EC Number
- 112-008-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 299.6 · 299.6±15.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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