3-Bromo-3'-(trifluoromethyl)benzanilide
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Basic information
- CAS
56661-33-7- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Br)c1- InChIKey
XHOACWXTINXSJV-UHFFFAOYSA-N- Molecular formula
- C14H9BrF3NO
- Average molar mass
- 344.13 g/mol
- Monoisotopic mass
- 342.98196067
Names & identifiers
- Preferred name
- 3-Bromo-3'-(trifluoromethyl)benzanilide
- IUPAC
- 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
- English name
- 3-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
- Molecular formula
- C14H9BrF3NO
- Molecular weight
- 344.13
Names & synonyms
3-BROMO-3'-(TRIFLUOROMETHYL)BENZANILIDERefChem:498519666-329-23-bromo-N-[3-(trifluoromethyl)phenyl]benzamide56661-33-73-Bromo-N-(3-(trifluoromethyl)phenyl)benzamideBenzamide, 3-bromo-N-[3-(trifluoromethyl)phenyl]-CBDivE_013092SCHEMBL12218548DTXSID20354118STK021186AKOS000202853
Show more names
-Bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CS-0331757ST50552542AE-641/05045009(3-bromophenyl)-N-[3-(trifluoromethyl)phenyl]carboxamide
Database identifiers
- CAS
56661-33-7- PubChem CID
- 763883
- DTXSID
DTXSID20354118- EC Number
- 666-329-2
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 310.7 · 310.7±42.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.70(Predicted)
- Comptox DTXSID
- 20354118 · DTXSID20354118
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
6 records
Compound notes
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