Basic information
- CAS
57409-24-2- Standard SMILES
O=C(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
KJRVVVBNFKCBFP-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.1076919
Names & identifiers
- Preferred name
- N,N-dibenzyl-3-chlorobenzamide
- IUPAC
- N,N-dibenzyl-3-chlorobenzamide
- English name
- N,N-dibenzyl-3-chlorobenzamide
- Molecular formula
- C21H18ClNO
- Molecular weight
- 335.83
Names & synonyms
N,N-dibenzyl-3-chlorobenzamide57409-24-2DTXSID10352284RefChem:358836DTXCID80303349657-581-4Benzamide, 3-chloro-N,N-bis(phenylmethyl)-HMS1537K18TimTec1_001294Oprea1_156918MFCD01214041STK062911
Show more names
AKOS0032696453-Chloro-N,N-bis(phenylmethyl)benzamideNCGC00174583-01ST014444(3-chlorophenyl)-N,N-bisbenzylcarboxamideAO-854/40081697BRD-K96579775-001-01-4F3549-7192
Database identifiers
- CAS
57409-24-2- PubChem CID
- 722366
- DTXSID
DTXSID10352284- EC Number
- 657-581-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 523.7 · 523.7±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -1.93 · -1.93±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H302-H410
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H302-H410
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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