(E)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrile
Basic information
- CAS
320416-88-4- Standard SMILES
CN(C)/C=C(/C#N)c1ccc(F)cc1- InChIKey
UPUOACPCFNKEMQ-NTMALXAHSA-N- Molecular formula
- C11H11FN2
- Average molar mass
- 190.22 g/mol
- Monoisotopic mass
- 190.09062652
Names & identifiers
- Preferred name
- (E)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrile
- IUPAC
- (E)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrile
- English name
- 3-(Dimethylamino)-2-(4-fluorophenyl)acrylonitrile
- Molecular formula
- C11H11FN2
- Molecular weight
- 190.22
Names & synonyms
3-(Dimethylamino)-2-(4-fluorophenyl)acrylonitrile320416-88-4(E)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrileMFCD00138582SCHEMBL17610293AKOS0062275723-(Dimethylamino)-2-(4-fluorophenyl)acrylonitrile97%(Z)-3-(dimethylamino)-2-(4-fluorophenyl)acrylonitrile(Z)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrileBenzeneacetonitrile, α-[(dimethylamino)methylene]-4-fluoro-JR-8844, 3-(Dimethylamino)-2-(4-fluorophenyl)acrylonitrile, 97%
Database identifiers
- CAS
320416-88-4- PubChem CID
- 737520
- EC Number
- 671-559-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 71 · 71-73°C
- Boiling point
- 373.8 · 373.8±37.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 2.94 · 2.94±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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