N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
Basic information
- CAS
175277-96-0- Standard SMILES
CC(=O)Nc1ccc(C#N)cc1C(F)(F)F- InChIKey
OBFBGHKUUCGSPC-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2O
- Average molar mass
- 228.17 g/mol
- Monoisotopic mass
- 228.05104734
Names & identifiers
- Preferred name
- N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
- IUPAC
- N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
- English name
- 4-CYANO-2-(TRIFLUOROMETHYL)ACETANILIDE
- Molecular formula
- C10H7F3N2O
- Molecular weight
- 228.17
Names & synonyms
175277-96-0N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide4-Cyano-2-(trifluoromethyl)acetaniliden-(4-cyano-2-(trifluoromethyl)phenyl)acetamide4'-cyano-2'-(trifluoromethyl)acetanilideMFCD00052844Acetamide, N-[4-cyano-2-(trifluoromethyl)phenyl]-2-acetamido-5-cyanobenzotrifluorideMaybridge1_000079MixCom1_000145SCHEMBL3311500DTXSID60371566
Show more names
4-ACETAMIDO-3-(TRIFLUOROMETHYL)BENZONITRILE4'-Cyano-2'-(trifluoromethyl)acetanilide98%4'-Cyano-2'-(trifluoromethyl)acetanilide 98%N1-[4-CYANO-2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDEN-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide, 4-Acetamido-3-(trifluoromethyl)benzonitrile
OBFBGHKUUCGSPC-UHFFFAOYSA-N4-cyano-2-trifluoromethylacetanilideSBB055077AKOS009101376FS-1071SB79661CS-0214701ST50949863
Database identifiers
- CAS
175277-96-0- PubChem CID
- 2736740
- DTXSID
DTXSID60371566- EC Number
- 670-853-7
- Nikkaji
- J3.390.926H
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 169 °C · 169 °C
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
- InChIKey
- OBFBGHKUUCGSPC-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(cc1C(F)(F)F)C#N
- CAS DataBase Reference
- 175277 · 175277-96-0
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-43
- Safety Statements
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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