2-[Hydroxy(phenyl)methyl]prop-2-enenitrile
Basic information
- CAS
19362-96-0- Standard SMILES
C=C(C#N)C(O)c1ccccc1- InChIKey
SBDMZDGNPLMNDF-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 2-[Hydroxy(phenyl)methyl]prop-2-enenitrile
- IUPAC
- 2-[hydroxy(phenyl)methyl]prop-2-enenitrile
- English name
- Benzenepropanenitrile, β-hydroxy-α-methylene-
- Molecular formula
- C10H9NO
- Molecular weight
- 159.19
Names & synonyms
2-[hydroxy(phenyl)methyl]prop-2-enenitrile19362-96-02-(hydroxy(phenyl)methyl)prop-2-enenitrileRefChem:461033983-188-52-(hydroxy(phenyl)methyl)acrylonitrile2-[hydroxy(phenyl)methyl]acrylonitrileCHEMBL352113SCHEMBL104409962-(1-Hydroxybenzyl)acrylonitrileUAA36296EBC-12979
Show more names
Benzenepropanenitrile, β-hydroxy-α-methylene-
AKOS000209098AKOS022486644CS-0257933EN300-68566G41068Z320966940
Database identifiers
- CAS
19362-96-0- PubChem CID
- 10241077
- ChEMBL
CHEMBL352113- EC Number
- 983-188-5
- Nikkaji
- J510.859D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 120 · 120-130 °C(Press: 0.2 Torr)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 12.54 · 12.54±0.20(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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