Basic information
- CAS
84501-73-5- Standard SMILES
Cc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1Cl- InChIKey
YRLWTVJREYZUKS-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0665554
Names & identifiers
- Preferred name
- Mls002920154
- IUPAC
- 2-[(3-chloro-4-methylanilino)methyl]isoindole-1,3-dione
Names & synonyms
84501-73-5MLS002920154DTXSID00299735RefChem:357254DTXCID902508701h-isoindole-1,3(2h)-dione, 2-[[(3-chloro-4-methylphenyl)amino]methyl]-2-(((3-Chloro-4-methylphenyl)amino)methyl)isoindoline-1,3-dione2-[(3-chloro-4-methylanilino)methyl]isoindole-1,3-dioneNSC1323682-[(3-chloro-4-methylanilino)methyl]-1H-isoindole-1,3(2H)-dioneNSC-1323682-{[(3-chloro-4-methylphenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
Show more names
2-{[(3-chloro-4-methylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione2-[[(3-Chloro-4-methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dioneDL5RJA53ZUCHEMBL2139309STK249699AKOS001484877SMR001797751ST50547485
Database identifiers
- CAS
84501-73-5- PubChem CID
- 280591
- DTXSID
DTXSID00299735- ChEMBL
CHEMBL2139309- UNII
- DL5RJA53ZU
- EC Number
- 651-970-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
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]
P264, P270, P273, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…