2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
Basic information
- CAS
97738-20-0- Standard SMILES
Clc1ccc(C2Nc3cccc4cccc(c34)N2)cc1Cl- InChIKey
PNPZNBSCKVIFFJ-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.0377538
Names & identifiers
- Preferred name
- 2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine
Names & synonyms
2-(3,4-dichlorophenyl)-2,3-dihydro-1H-perimidine2-(3,4-Dichloro-phenyl)-2,3-dihydro-1H-perimidineNSC80757ChemDiv1_021895Oprea1_345336Oprea1_36593297738-20-0MLS001212958CHEMBL1362934SCHEMBL11568646HMS649D05DTXSID101324206
Show more names
HMS2829O15NSC-80757STK009291AKOS000555218SMR000515761ST502432372-(3,4-dichlorophenyl)-2,3-dihydroperimidineSR-01000438981
Database identifiers
- CAS
97738-20-0- PubChem CID
- 255346
- DTXSID
DTXSID101324206- ChEMBL
CHEMBL1362934- EC Number
- 162-038-5
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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