4'-Cyano-3'-(trifluoromethyl)acetanilide
Basic information
- CAS
97760-99-1- Standard SMILES
CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1- InChIKey
FHKLGEQKLMMVCZ-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2O
- Average molar mass
- 228.17 g/mol
- Monoisotopic mass
- 228.05104734
Names & identifiers
- Preferred name
- 4'-Cyano-3'-(trifluoromethyl)acetanilide
- IUPAC
- N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
- English name
- 4-Cyano-3-(trifluoromethyl)acetanilide
- Molecular formula
- C10H7F3N2O
- Molecular weight
- 228.17
Names & synonyms
N-[4-cyano-3-(trifluoromethyl)phenyl]acetamiden-(4-cyano-3-(trifluoromethyl)phenyl)acetamide4'-cyano-3'-(trifluoromethyl)acetanilideRefChem:506078640-865-797760-99-14-Cyano-3-(trifluoromethyl)acetanilideAcetamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-MFCD00052360Maybridge3_004822SCHEMBL324379SCHEMBL14289402
Show more names
BUTTPARK 33\08-100Reaxys ID: 110539023-Acetamido-6-cyanobenzotrifluoride4-ACETAMIDO-2-(TRIFLUOROMETHYL)BENZONITRILE4'-Cyano-3'-(trifluoromethyl)acetanilide98%4'-Cyano-3'-(trifluoromethyl)acetanilide 98%N1-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
DTXSID20371567FHKLGEQKLMMVCZ-UHFFFAOYSA-NHMS1444L04CCG-13054-cyano-3-trifluoromethylacetanilideSBB097261AKOS009159249FS-1072
Database identifiers
- CAS
97760-99-1- PubChem CID
- 2736741
- DTXSID
DTXSID20371567- EC Number
- 640-865-7
- Nikkaji
- J2.414.481J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 381.4 · 381.4±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.55 · 13.55±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2926907090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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