4-Chloro-alpha-phenylhydrocinnamonitrile
Basic information
- CAS
32970-79-9- Standard SMILES
N#CC(Cc1ccc(Cl)cc1)c1ccccc1- InChIKey
ABVFADOVAQKBBK-UHFFFAOYSA-N- Molecular formula
- C15H12ClN
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0658271
Names & identifiers
- Preferred name
- 4-Chloro-alpha-phenylhydrocinnamonitrile
- IUPAC
- 3-(4-chlorophenyl)-2-phenylpropanenitrile
- English name
- 4-Chloro-alpha-phenylhydrocinnamonitrile
- Molecular formula
- C15H12ClN
- Molecular weight
- 241.72
Names & synonyms
4-CHLORO-ALPHA-PHENYLHYDROCINNAMONITRILERefChem:521737662-822-132970-79-93-(4-chlorophenyl)-2-phenylpropanenitrileNSC287561SCHEMBL5163915DTXSID50314725AKOS001064687NSC-287561Z56998534Benzenepropanenitrile, 4-chloro-α-phenyl-
Database identifiers
- CAS
32970-79-9- PubChem CID
- 324052
- DTXSID
DTXSID50314725- EC Number
- 662-822-1
- Nikkaji
- J2.747.247H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 110 · 110-111.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 359.8 · 359.8±27.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 335 · H335-H410-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H335-H410-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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