3',4,4'-Trichlorobenzanilide
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Basic information
- CAS
56661-50-8- Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1- InChIKey
ZUKGOIHTIKKVBD-UHFFFAOYSA-N- Molecular formula
- C13H8Cl3NO
- Average molar mass
- 300.6 g/mol
- Monoisotopic mass
- 298.967147
Names & identifiers
- Preferred name
- 3',4,4'-Trichlorobenzanilide
- IUPAC
- 4-chloro-N-(3,4-dichlorophenyl)benzamide
- English name
- 4-Chloro-N-(3,5-dichlorophenyl)benzamide
- Molecular formula
- C13H8Cl3NO
- Molecular weight
- 300.57
Names & synonyms
3',4,4'-TRICHLOROBENZANILIDERefChem:484537664-333-94-chloro-N-(3,4-dichlorophenyl)benzamide56661-50-8MFCD00018677NSC204163SCHEMBL2681347CHEMBL1222589DTXSID70972104STK414255AKOS002960696
Show more names
4-Chloro-N-(3,5-dichlorophenyl)benzamideBenzamide, 4-chloro-N-(3,4-dichlorophenyl)-4-Chloro-N-(3,4-dichlorophenyl)benzaMide, 97%
NSC-204163BS-29107CS-0206297ST45145444N-(3,4-dichlorophenyl)(4-chlorophenyl)carboxamide
Database identifiers
- CAS
56661-50-8- PubChem CID
- 306483
- DTXSID
DTXSID70972104- ChEMBL
CHEMBL1222589- EC Number
- 664-333-9
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 342.922 · 342.922±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.598 · 11.598±0.70(predicted)
- CAS DataBase Reference
- 56661 · 56661-50-8
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
- H410-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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