2,5-Dichlorobenzaldehyde - ≥98% , CAS No.6361-23-5

CAS: 6361-23-5 Cat. No.: D112713 Molecular Weight: 175.01 EC Number: 228-832-1

GRADE & PURITY ≥98%

Synonyms

SY004807 | 2,5-Dichlorobenzaldehyde | 2,5-dichloro-benzaldehyde | Benzaldehyde, 2,5-dichloro- | DTXSID30212992 | F0001-1729 | 2,5-dichlorbenzaldehyde | PS-3370 | 2.5-Dichlorbenzaldehyd | A24094 | MFCD00156140 | W-104894 | BP-10343 | BUXHYMZMVMNDMG-UHFFFAO

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SY004807 | 2, 5-Dichlorobenzaldehyde | 2, 5-dichloro-benzaldehyde | Benzaldehyde, 2, 5-dichloro- | DTXSID30212992 | F0001-1729 | 2, 5-dichlorbenzaldehyde | PS-3370 | 2.5-Dichlorbenzaldehyd | A24094 | MFCD00156140 | W-104894 | BP-10343 | BUXHYMZMVMNDMG-UHFFFAO

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185899
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185899
• Canonical Smiles: C1=CC(=C(C=C1Cl)C=O)Cl
• IUPAC Name: 2,5-dichlorobenzaldehyde
• InChIKey: BUXHYMZMVMNDMG-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)C=O)Cl
• WGK Germany: 3
• Molecular Weight: 175.01
• Reaxy-Rn: 1635476
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635476&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: a chloroaromatic compound

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
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 231-233°C
• Melt Point(°C): 58°C
• Molecular Weight: 175.010 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.964 Da
• Monoisotopic Mass: 173.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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