2-Imidazolidinone, 1-(p-chlorophenyl)-
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Basic information
- CAS
14088-99-4- Standard SMILES
O=C1NCCN1c1ccc(Cl)cc1- InChIKey
IZAHIGCYGOLFQV-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0403406
Names & identifiers
- Preferred name
- 2-Imidazolidinone, 1-(p-chlorophenyl)-
- IUPAC
- 1-(4-chlorophenyl)imidazolidin-2-one
- English name
- 1-(4-Chlorophenyl)-2-imidazolidinone
- Molecular formula
- C9H9ClN2O
- Molecular weight
- 196.63
Names & synonyms
14088-99-41-(4-chlorophenyl)imidazolidin-2-one2-Imidazolidinone, 1-(4-chlorophenyl)-1-(p-Chlorophenyl)-2-imidazolidinoneBRN 01706742-IMIDAZOLIDINONE, 1-(p-CHLOROPHENYL)-AI3-60268DTXSID201614855-24-01-00069 (Beilstein Handbook Reference)RefChem:473538DTXCID9083976830-031-2
Show more names
2-Imidazolidinone,1-(4-chlorophenyl)-
1-(4-chlorophenyl)-2-imidazolidinoneMFCD01721093F2147-0729SCHEMBL2723456IZAHIGCYGOLFQV-UHFFFAOYSA-NSMSSF-0533462CS-D0552PAA08899
Database identifiers
- CAS
14088-99-4- PubChem CID
- 26451
- DTXSID
DTXSID20161485- EC Number
- 830-031-2
- Nikkaji
- J40.916B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.79 · 13.79±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Toxicity
- 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04662,
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04662,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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