Basic information
- CAS
302549-68-4- Standard SMILES
NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1- InChIKey
YOOYBCAMHOPOAE-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O2
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0618043
Names & identifiers
- Preferred name
- 4-(((3-Chloroanilino)carbonyl)amino)benzamide
- IUPAC
- 4-[(3-chlorophenyl)carbamoylamino]benzamide
- English name
- 4-({[(3-chlorophenyl)amino]carbonyl}amino)benzamide
- Molecular formula
- C14H12ClN3O2
- Molecular weight
- 289.72
Names & synonyms
4-(((3-CHLOROANILINO)CARBONYL)AMINO)BENZAMIDE4-{[(3-chloroanilino)carbonyl]amino}benzamideRefChem:508570662-117-94-[(3-chlorophenyl)carbamoylamino]benzamide302549-68-44-{[(3-chlorophenyl)carbamoyl]amino}benzamideCBMicro_032625Cambridge id 5856457Oprea1_545608SCHEMBL15798498DTXSID80352059
Show more names
4-({[(3-chlorophenyl)amino]carbonyl}amino)benzamideBenzamide, 4-[[[(3-chlorophenyl)amino]carbonyl]amino]-
STL256047AKOS000497831ST030246BIM-0032508.P0014-{[N-(3-chlorophenyl)carbamoyl]amino}benzamideAB00099431-01AN-329/40377932SR-01000222002
Database identifiers
- CAS
302549-68-4- PubChem CID
- 717547
- DTXSID
DTXSID80352059- EC Number
- 662-117-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 393.9 · 393.9±27.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 13.57 · 13.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- 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
- H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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