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

CAS: 6361-23-5 Cat. No.: D112713 Formula: C₇H₄Cl₂O 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

Room temperature,Argon charged

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

Room temperature,Argon charged

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

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 room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 6361-23-5, the molecular formula is C7H4Cl2O, and the molecular weight is 175.01 g/mol. InChIKey BUXHYMZMVMNDMG-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.