3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
Basic information
- CAS
99468-72-1- Standard SMILES
O=C(CBr)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
DCCKYVKUIKRMPU-UHFFFAOYSA-N- Molecular formula
- C10H6BrF6NO
- Average molar mass
- 350.05 g/mol
- Monoisotopic mass
- 348.9537
Names & identifiers
- Preferred name
- 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
- IUPAC
- N-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamide
- English name
- 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
- Molecular formula
- C10H6BrF6NO
- Molecular weight
- 350.06
Names & synonyms
99468-72-13,5-Bis(trifluoromethyl)-N-(bromoacetyl)anilineN-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoacetamideN-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamideMFCD006623153',5'-Bis(trifluoromethyl)-2-bromoacetanilideN-(3,5-Bis(trifluoromethyl)phenyl)-2-bromo-acetamideSCHEMBL10750113DTXSID20912696DCCKYVKUIKRMPU-UHFFFAOYSA-NAKOS015852902CS-0318945
Show more names
BUTTPARK 49\07-39Reaxys ID: 196674323',5'-BIS(TRIFLUOROMETHYL)-N-(BROMOACETANILIDE)Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-
G90337F008149N-[3,5-Bis(trifluoromethyl)phenyl](bromo)ethanimidic acidN-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethanimidic acid
Database identifiers
- CAS
99468-72-1- PubChem CID
- 188541
- DTXSID
DTXSID20912696
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 100 · 100-101
- Boiling point
- 308.9 · 308.9±42.0 °C(Predicted)
- Density
- 1.726 · 1.726±0.06 g/cm3(Predicted)
- form
- powder
- pka
- 11.43 · 11.43±0.70(Predicted)
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
Uses3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline (CAS# 99468-72-1) can be used to prepare medical plastic pipes. It can also be used as pesticides and herbicides.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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