Basic information
- CAS
87273-96-9- Standard SMILES
CC(O)(c1ccccc1)c1ccc(C#N)cc1- InChIKey
VYNZCOZPJMGVIF-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-1-phenylethyl)benzonitrile
- IUPAC
- 4-(1-hydroxy-1-phenylethyl)benzonitrile
- English name
- 4-(1-Hydroxy-1-phenylethyl)benzonitrile
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
4-(1-Hydroxy-1-phenylethyl)benzonitrileRefChem:51031687273-96-9659-954-7SCHEMBL2241220VYNZCOZPJMGVIF-UHFFFAOYSA-NAKOS0175479284-(1-Hydroxy-1-phenylethyl)benzonitrile #Benzonitrile, 4-(1-hydroxy-1-phenyl)ethyl-Benzonitrile, 4-(1-hydroxy-1-phenylethyl)-
Database identifiers
- CAS
87273-96-9- PubChem CID
- 610331
- EC Number
- 659-954-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…