4-Bromophenyl chloroformate - ≥95% , CAS No.7693-44-9

CAS: 7693-44-9 Cat. No.: B300847 Molecular Weight: 235.46 EC Number: 627-531-6

GRADE & PURITY ≥95%

Synonyms

4-Bromophenyl carbonochloridate | FT-0636568 | DTXSID90412299 | EN300-270968 | 4-Bromophenylcarbonochloridate | AKOS015891075 | IKMNJYGTSSQNSE-UHFFFAOYSA-N | MFCD00013256 | SCHEMBL1268683 | 4-Bromophenyl carbonochloridate;4-Bromophenyl carbonochloridate |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-Bromophenyl carbonochloridate | FT-0636568 | DTXSID90412299 | EN300-270968 | 4-Bromophenylcarbonochloridate | AKOS015891075 | IKMNJYGTSSQNSE-UHFFFAOYSA-N | MFCD00013256 | SCHEMBL1268683 | 4-Bromophenyl carbonochloridate;4-Bromophenyl carbonochloridate |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1OC(=O)Cl)Br
• IUPAC Name: (4-bromophenyl) carbonochloridate
• InChIKey: IKMNJYGTSSQNSE-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrClO2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
• Isomeric SMILES: C1=CC(=CC=C1OC(=O)Cl)Br
• Molecular Weight: 235.46
• Reaxy-Rn: 1867972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Bromobenzenes Aryl bromides Organic carbonic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Sensitivity: Moisture sensitive；light sensitive
• Molecular Weight: 235.460 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.908 Da
• Monoisotopic Mass: 233.908 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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