2'-(Trifluoromethoxy)acetanilide
Basic information
- CAS
3832-55-1- Standard SMILES
CC(=O)Nc1ccccc1OC(F)(F)F- InChIKey
KZBHIVIJYKKLHL-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071298
Names & identifiers
- Preferred name
- 2'-(Trifluoromethoxy)acetanilide
- IUPAC
- N-[2-(trifluoromethoxy)phenyl]acetamide
- English name
- 2'-(TRIFLUOROMETHOXY)ACETANILIDE
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.16
Names & synonyms
2'-(Trifluoromethoxy)acetanilideN-[2-(Trifluoromethoxy)phenyl]acetamideN-(2-(Trifluoromethoxy)phenyl)acetamideRefChem:439544641-229-13832-55-1MFCD00204176n1-[2-(trifluoromethoxy)phenyl]acetamideMaybridge1_000149MixCom1_000281GNF-Pf-2421CHEMBL601326
Show more names
Compound Fr133102-(TRIFLUOROMETHOXY)ACETANILIDE2-trifluoromethoxyphenylacetamide2'-(Trifluoromethoxy)acetanilide97%2'-(Trifluoromethoxy)acetanilide 97%Acetamide, N-[2-(trifluoromethoxy)phenyl]-2′-(Trifluoromethoxy)acetanilide, CAS 3832-55-1
orb3170057SCHEMBL5962103SCHEMBL7447729DTXSID503449662''-(Trifluoromethoxy)acetanilideFr13310SBB095728AKOS009084326
Database identifiers
- CAS
3832-55-1- PubChem CID
- 600772
- DTXSID
DTXSID50344966- ChEMBL
CHEMBL601326- EC Number
- 641-229-1
- Nikkaji
- J3.529.544E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 261.5 · 261.5±35.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 14.07 · 14.07±0.70(Predicted)
- CAS DataBase Reference
- 3832 · 3832-55-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H335-H315-H302-H332-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · UN2811
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 CategoriesAcute Tox. 4 (50%)
Safety data
- ridadr
- UN2811
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H312-H335-H315-H302-H332-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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