3,3,3 Triphenylpropionitrile
Basic information
- CAS
64063-91-8- Standard SMILES
N#CCC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
HIJRINSXBOZPGQ-UHFFFAOYSA-N- Molecular formula
- C21H17N
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.13609955
Names & identifiers
- Preferred name
- 3,3,3 Triphenylpropionitrile
- IUPAC
- 3,3,3-triphenylpropanenitrile
- English name
- 3,3,3 Triphenylpropionitrile
- Molecular formula
- C21H17N
- Molecular weight
- 283.37
Names & synonyms
3,3,3 TriphenylpropionitrileRefChem:485028635-699-73,3,3-triphenylpropanenitrile64063-91-8NSC806923,3,3-triphenyl-propionitrileSCHEMBL1344417DTXSID20292187NSC-80692AKOS024332433Benzenepropanenitrile, β,β-diphenyl-
Database identifiers
- CAS
64063-91-8- PubChem CID
- 255295
- DTXSID
DTXSID20292187- EC Number
- 635-699-7
- Nikkaji
- J1.945.168B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 140 °C · 140 °C(Solv: ethanol (64-17-5))
- Boiling point
- 126 °C · 126 °C
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 413 · H413-H312-H302-H318-H332
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H413-H312-H302-H318-H332
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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