Basic information
- CAS
16610-81-4- Standard SMILES
N#CC(=Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
JJGLLZWUWIKTAG-UHFFFAOYSA-N- Molecular formula
- C15H10ClN
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.050177
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-phenylprop-2-enenitrile
- IUPAC
- 2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
Names & synonyms
16610-81-42-(4-chlorophenyl)-3-phenylprop-2-enenitrile2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrileNCIOpen2_005532NCIOpen2_005654SCHEMBL27983745DTXSID601243087AKOS030230977DB-0808434-Chloro-I+/--(phenylmethylene)benzeneacetonitrile
Database identifiers
- CAS
16610-81-4、3695-93-0- PubChem CID
- 19418
- DTXSID
DTXSID601243087- EC Number
- 634-097-1
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
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
Danger
H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (90.7%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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