3-Chloro-3-(4-fluorophenyl)prop-2-enenitrile
Basic information
- CAS
126417-76-3- Standard SMILES
N#C/C=C(\Cl)c1ccc(F)cc1- InChIKey
QYJZLGBSSYBYSY-WEVVVXLNSA-N- Molecular formula
- C9H5ClFN
- Average molar mass
- 181.59 g/mol
- Monoisotopic mass
- 181.009455
Names & identifiers
- Preferred name
- 3-Chloro-3-(4-fluorophenyl)prop-2-enenitrile
- IUPAC
- (Z)-3-chloro-3-(4-fluorophenyl)prop-2-enenitrile
- English name
- 3-Chloro-3-(4-fluorophenyl)acrylonitrile
- Molecular formula
- C9H5ClFN
- Molecular weight
- 181.59
Names & synonyms
126417-77-43-chloro-3-(4-fluorophenyl)prop-2-enenitrileRefChem:499837980-510-63-Chloro-3-(4-fluorophenyl)acrylonitrile126417-76-3(Z)-3-Chloro-3-(4-fluorophenyl)acrylonitrileMFCD00052069(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enenitrile2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (2Z)-205984-77-6(2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enenitrile
Show more names
BUTTPARK 91\18-163-Chloro-3-(4-fluorophenyl)acrylonitrile97%3-Chloro-3-(4-fluorophenyl)acrylonitrile 97%(2Z)-3-CHLORO-3-(4-FLUOROPHENYL)ACRYLONITRILE2-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-, (E)- (9CI)
3-chloro-3-(4-fluorophenyl)-2-propenenitrilestarbld00098412-Propenenitrile, 3-chloro-3-(4-fluorophenyl)-SCHEMBL4617678SBB055095AKOS001042380AKOS025309991NCGC00660617-01
Database identifiers
- CAS
126417-76-3、126417-77-4- PubChem CID
- 736608
- EC Number
- 670-862-6、980-510-6
- Nikkaji
- J2.278.624E、J2.569.780D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 90 · 90-93°C
- Boiling point
- 275.1 · 275.1±25.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- RIDADR
- 3439 · 3439
- HazardClass
- TOXIC
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)
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
- ridadr
- 3439
- risk_code
- 23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 36/37/39-45
- hazard_class
- TOXIC
- Hazard statements
- H332-H302-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Suppliers
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Related reactions
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Compound notes
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