Basic information
- CAS
40447-04-9- Standard SMILES
Cc1c(Cl)cccc1NC(=O)c1ccccc1- InChIKey
YYBZYCYXYZUIHL-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0607417
Names & identifiers
- Preferred name
- N-(3-Chloro-o-tolyl)benzamide
- IUPAC
- N-(3-chloro-2-methylphenyl)benzamide
- English name
- N-(3-chloro-o-tolyl)benzamide
- Molecular formula
- C14H12ClNO
- Molecular weight
- 245.7
Names & synonyms
N-(3-chloro-2-methylphenyl)benzamide40447-04-9N-(3-Chloro-o-tolyl)benzamideKHD4YVI1MGBenzamide, N-(3-chloro-2-methylphenyl)-EINECS 254-922-5NSC-164393DTXSID20193463NSC 164393RefChem:161943DTXCID30115954254-922-5
Show more names
NSC164393UNII-KHD4YVI1MGCambridge id 5145119MFCD00157753STK730883AKOS000499714N-(3-chloro-2-methyl-phenyl)benzamide3'-CHLORO-2'-METHYLBENZANILIDE
Database identifiers
- CAS
40447-04-9- PubChem CID
- 98772
- DTXSID
DTXSID20193463- UNII
- KHD4YVI1MG
- EC Number
- 254-922-5
- Nikkaji
- J332.422B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 288.2 · 288.2±33.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.70(Predicted)
- FDA UNII
- 4 YVI1MG · KHD4YVI1MG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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