1-(4-Chlorophenyl)imidazolidin-2-one - ≥98% , CAS No.14088-99-4

CAS: 14088-99-4 Cat. No.: C190845 Formula: C₉H₉ClN₂O Molecular Weight: 196.63 EC Number: 830-031-2

GRADE & PURITY ≥98%

Synonyms

A885718 | Z1491195468 | F2147-0729 | IZAHIGCYGOLFQV-UHFFFAOYSA-N | EN300-213840 | SY046070 | 1-(4-chlorophenyl)-2-imidazolidinone | AKOS024262395 | MFCD01721093 | 1-(4-chlorophenyl)imidazolidin-2-one | DS-9335 | F14607 | DTXSID20161485 | BRN 0170674 | AI3

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A885718 | Z1491195468 | F2147-0729 | IZAHIGCYGOLFQV-UHFFFAOYSA-N | EN300-213840 | SY046070 | 1-(4-chlorophenyl)-2-imidazolidinone | AKOS024262395 | MFCD01721093 | 1-(4-chlorophenyl)imidazolidin-2-one | DS-9335 | F14607 | DTXSID20161485 | BRN 0170674 | AI3

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(C(=O)N1)C2=CC=C(C=C2)Cl
• IUPAC Name: 1-(4-chlorophenyl)imidazolidin-2-one
• InChIKey: IZAHIGCYGOLFQV-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-4H,5-6H2,(H,11,13)
• Isomeric SMILES: C1CN(C(=O)N1)C2=CC=C(C=C2)Cl
• Molecular Weight: 196.63
• Reaxy-Rn: 170674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Chlorobenzenes Imidazolidinones Aryl chlorides Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Urea - Carbonic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 196.630 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.04 Da
• Monoisotopic Mass: 196.04 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14088-99-4, the molecular formula is C9H9ClN2O, and the molecular weight is 196.63 g/mol. InChIKey IZAHIGCYGOLFQV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.