2-(4-Chlorophenyl)oxirane - ≥96% , CAS No.2788-86-5

CAS: 2788-86-5 Cat. No.: C169228 Formule: C₈H₇ClO Poids moléculaire: 154.59 Numéro CE: 627-880-4

GRADE & PURITY ≥96%

Synonyms

(+/-)-4-Chlorostyrene Oxide | 4-chlorophenyloxirane | AKOS000200607 | AKOS016843648 | 4-Chlorostyrene oxide | DTXSID90950565 | (R)-2-(4-Chlorophenyl)oxirane | BRN 0002929 | para-chlorostyrene oxide | 1M51K7C6AC | EN300-28759 | FT-0634489 | FT-0664918 | Ox

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

(+/-)-4-Chlorostyrene Oxide | 4-chlorophenyloxirane | AKOS000200607 | AKOS016843648 | 4-Chlorostyrene oxide | DTXSID90950565 | (R)-2-(4-Chlorophenyl)oxirane | BRN 0002929 | para-chlorostyrene oxide | 1M51K7C6AC | EN300-28759 | FT-0634489 | FT-0664918 | Ox

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 528756082
• Sourires canoniques: C1C(O1)C2=CC=C(C=C2)Cl
• IUPAC Name: 2-(4-chlorophenyl)oxirane
• InChIKey: IBWLXNDOMYKTAD-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
• Isomères SMILES: C1C(O1)C2=CC=C(C=C2)Cl
• WGK Allemagne: 3
• RTECS: CZ0527000
• Poids moléculaire: 154.59
• Reaxy-Rn: 2929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2929&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Oxacyclic compounds Epoxides Dialkyl ethers Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.552
• Point d'éclair (°F): 68 °F
• Point d'éclair (°C): 20 °C
• Point d'ébullition (°C): 230℃
• Poids moléculaire: 154.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.019 Da
• Monoisotopic Mass: 154.019 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1