Basic information
- CAS
16610-81-4- Standard SMILES
N#C/C(=C/c1ccccc1)c1ccc(Cl)cc1- InChIKey
JJGLLZWUWIKTAG-UVTDQMKNSA-N- Molecular formula
- C15H10ClN
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.050177
Names & identifiers
- Preferred name
- (E)-2-(4-Chlorophenyl)-3-phenylacrylonitrile
- IUPAC
- (E)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile
Names & synonyms
16610-81-4(E)-2-(4-Chlorophenyl)-3-phenylacrylonitrilea-(p-chlorophenyl)cinnamonitrile(E)-ALPHA-(4-CHLOROPHENYL)CINNAMONITRILE2-(4-Chlorophenyl)-3-phenylacrylonitrile(2E)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile(E)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrileBenzeneacetonitrile, 4-chloro-alpha-(phenylmethylene)-, (E)- (9CI)MFCD00082873starbld0018069SBB008094AKOS022180337
Show more names
AS-71467H37036F341953(E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enenitrileZ57308398Benzeneacetonitrile, 4-chloro-|A-(phenylmethylene)-, (E)- (9CI)
Database identifiers
- CAS
16610-81-4- PubChem CID
- 736231
- EC Number
- 634-097-1
- Nikkaji
- J800.645H
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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