4-Chlorophenyl glycidyl ether - ≥99% , CAS No.2212-05-7

CAS: 2212-05-7 Cat. No.: C474267 Molecular Weight: 184.62 EC Number: 218-655-8

GRADE & PURITY ≥99%

Synonyms

4-hydroxyphenylthiourea | p-Chlorophenyl 2,3-epoxypropyl ether | KSLSZOOZWRMSAP-UHFFFAOYSA- | Chlorophenyl glycidyl ether | SCHEMBL1582722 | 3-Azetidinol Hydrochloride | AS-60019 | V10254 | EINECS 218-655-8 | NSC 60260 | Propane, 1-(p-chlorophenoxy)-2,3-e

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-hydroxyphenylthiourea | p-Chlorophenyl 2, 3-epoxypropyl ether | KSLSZOOZWRMSAP-UHFFFAOYSA- | Chlorophenyl glycidyl ether | SCHEMBL1582722 | 3-Azetidinol Hydrochloride | AS-60019 | V10254 | EINECS 218-655-8 | NSC 60260 | Propane, 1-(p-chlorophenoxy)-2, 3-e

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1C(O1)COC2=CC=C(C=C2)Cl
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]oxirane
• InChIKey: KSLSZOOZWRMSAP-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
• Isomeric SMILES: C1C(O1)COC2=CC=C(C=C2)Cl
• Molecular Weight: 184.62
• Reaxy-Rn: 122151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Oxacyclic compounds Epoxides Dialkyl ethers Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Sensitivity: Air sensitive
• Refractive Index: n20/D 1.545 (lit.)
• Flash Point(°F): 224.6 °F - closed cup
• Flash Point(°C): 107.00 °C - closed cup
• Boil Point(°C): 114 °C/0.2 mmHg
• Melt Point(°C): 31-33℃ (lit.)
• Molecular Weight: 184.620 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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