2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
Basic information
- CAS
76139-79-2- Standard SMILES
Clc1ccccc1C1Nc2cccc3cccc(c23)N1- InChIKey
VFCSCFYJARCXSF-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.0767261
Names & identifiers
- Preferred name
- 2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
- English name
- 2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
- Molecular formula
- C17H13ClN2
- Molecular weight
- 280.75
Names & synonyms
2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine76139-79-22-(2-Chloro-phenyl)-2,3-dihydro-1H-perimidineChemDivAM_000916CBMicro_027843ChemDiv1_022117Oprea1_305625Oprea1_470639MLS001211376CHEMBL1457556SCHEMBL12783883HMS649N07
Show more names
1H-Perimidine, 2-(2-chlorophenyl)-2,3-dihydro-
DTXSID701324523HMS2827F08STK829663AKOS000554905SMR000515766BIM-0027843.P001EU-0038858AB00091855-01
Database identifiers
- CAS
76139-79-2- PubChem CID
- 760602
- DTXSID
DTXSID701324523- ChEMBL
CHEMBL1457556- EC Number
- 152-529-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility7.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 116 · 116-118 °C
- Boiling point
- 503.2 · 503.2±50.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 2.93 · 2.93±0.40(Predicted)
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, P391, 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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