Basic information
- CAS
349-97-3- Standard SMILES
CC(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
DFDHFECLWHHELH-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO
- Average molar mass
- 203.16 g/mol
- Monoisotopic mass
- 203.05579836
Names & identifiers
- Preferred name
- N-[4-(trifluoromethyl)phenyl]acetamide
- IUPAC
- N-[4-(trifluoromethyl)phenyl]acetamide
- English name
- 4-(Trifluoromethyl)acetanilide
- Molecular formula
- C9H8F3NO
- Molecular weight
- 203.16
Names & synonyms
349-97-3N-(4-(Trifluoromethyl)phenyl)acetamideN-[4-(Trifluoromethyl)phenyl]acetamideAcetamide, N-[4-(trifluoromethyl)phenyl]-AI3-63158EINECS 206-495-1Acetamide, N-(4-(trifluoromethyl)phenyl)-DTXSID60188459NSC 403019RefChem:827070DTXCID40110950206-495-1
Show more names
P-ACETYLAMINO-A,AN-(4-(Trifluoromethyl)4-ACETAMIDOBENZOTRIFLUORIDEP-ACETAMIDOBENZOTRIFLUORIDEP-ACETYLAMINOBENZOTRIFLUORIDE4-(trifluromethyl)acetanilideP-(TRIFLUOROMETHYL)ACETANILIDE
4-(Trifluoromethyl)acetanilide4'-(trifluoromethyl)acetanilide4-TrifluoromethylacetanilideMFCD00013562p-Trifluoromethylacetanilidep-ACETAMINOBENZOTRIFLUORIDEALPHA,ALPHA,ALPHA-TRIFLUORO-P-ACETOTOLUIDIDENSC-403019
Database identifiers
- CAS
349-97-3- PubChem CID
- 67685
- DTXSID
DTXSID60188459- ChEMBL
CHEMBL4063315
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.52
Physicochemical properties
- Melting point
- 152 · 152-153°C
- Boiling point
- 299 ℃ · 299℃
- Density
- 1.302 · 1.302
- Flash point
- 135 ℃ · 135℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 14.4 · 14.40±0.70(Predicted)
- color
- White
- BRN
- 2106965 · 2106965
- CAS DataBase Reference
- 349 · 349-97-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard 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
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280f
Chemistry & industry
Applications
Uses4''-(Trifluoromethyl)acetanilide is an intermediate used to prepare hypocholesterolemic arylaminosilanes with antioxidant properties.
Upstream & downstream products
Downstream products
Suppliers84 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安徽合诺生物科技有限公司0555-2761852
常州金和生物科技有限公司18796930758 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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