2,2-Diphenylpropiononitrile
Basic information
- CAS
5558-67-8- Standard SMILES
CC(C#N)(c1ccccc1)c1ccccc1- InChIKey
DPVHBXFSKLKYIQ-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 2,2-Diphenylpropiononitrile
- IUPAC
- 2,2-diphenylpropanenitrile
- English name
- 2,2-Diphenylpropionitrile
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
2,2-DiphenylpropiononitrileEINECS 226-925-1DTXSID00204127NSC 62703RefChem:441530DTXCID00126618226-925-12,2-Diphenylpropionitrile5558-67-82,2-Diphenylpropanenitrile1,1-Diphenylethyl CyanideMFCD00001846
Show more names
TIMTEC-BB SBB008475LABOTEST-BB LT001598322,2-Diphenylpropionitrile>2,2-Diphenylpropionitrile,97%ALPHA,ALPHA-DIPHENYLPROPIONITRILEα-Methyl-α-phenylbenzeneacetonitrile
.alpha.,.alpha.-DiphenylpropionitrileHMS1741N18N-2,4-DNP-DL-METHIONINESULFOXIDE2,2-diphenyl propionitrile2,2-diphenyl-propionitrileNCIOpen2_0026582,2-Diphenylpropanenitrile #SCHEMBL1021158
Database identifiers
- CAS
5558-67-8- PubChem CID
- 79677
- DTXSID
DTXSID00204127- EC Number
- 226-925-1
- Nikkaji
- J225.017I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 145 °C2 · 145 °C2 mm Hg(lit.)
- Density
- 1.109 g/mL · 1.109 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.572(lit.)
- Flash point
- 230 °F · >230 °F
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- BRN
- 1955952 · 1955952
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- CAS DataBase Reference
- 5558 · 5558-67-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,2-Diphenylpropionitrile(5558-67-8)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H302-H312-H331
- Precautionary statements
- 280 h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501 · P280h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 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
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 36-36/37-24/25
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312-H331
- Precautionary statements
- P280h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses2,2-Diphenylacetonitrile is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers
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Related reactions
3 records
Compound notes
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