2,6-Dichlorobenzaldehyde - ≥98% , CAS No.83-38-5

CAS: 83-38-5 Cat. No.: D129145 Formule: C₇H₄Cl₂O Poids moléculaire: 175.01 Beilstein Registry Number: 386477 Numéro CE: 201-472-2

GRADE & PURITY ≥98%

Synonyms

InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4 | 2,6-dichloro benzaldehyde | 2,6-dichloro -benzaldehyde | EN300-18410 | (2,6-dichlorophenyl)methanone | 781ADM5611 | Q27266626 | DTXCID304970 | Z57773430 | D70634 | Tox21_200742 | 2,6-Dichlorobenzaldehyde, pu

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4 | 2,6-dichloro benzaldehyde | 2,6-dichloro -benzaldehyde | EN300-18410 | (2,6-dichlorophenyl)methanone | 781ADM5611 | Q27266626 | DTXCID304970 | Z57773430 | D70634 | Tox21_200742 | 2,6-Dichlorobenzaldehyde, pu

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504751161
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751161
• Sourires canoniques: C1=CC(=C(C(=C1)Cl)C=O)Cl
• IUPAC Name: 2,6-dichlorobenzaldehyde
• InChIKey: DMIYKWPEFRFTPY-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
• Isomères SMILES: C1=CC(=C(C(=C1)Cl)C=O)Cl
• WGK Allemagne: 2
• Numéro ONU: 1759
• Groupe d'emballage: I
• Poids moléculaire: 175.01
• Beilstein: 386477
• Reaxy-Rn: 386477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386477&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: 1,3-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: 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

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'éclair (°F): 212 °F
• Point d'éclair (°C): >100℃
• Point d'ébullition (°C): 165°C
• Point de fusion (°C): 71°C
• Poids moléculaire: 175.010 g/mol
• XLogP3: 2.600
• 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: 117.000
• 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

Références

1. Feng Li, Ruoxi Yang, Jian Xu, Guohai Xu, Ye Wu.  (2024)  Detecting N-Phenyl-2-Naphthylamine, L-Arabinose, D-Mannose, L-Phenylalanine, L-Methionine, and D-Trehalose via Photocurrent Measurement.  Gels,  10  (12): (808).  [PMID:39727566] [10.3390/gels10120808]

2. Yu Zhu, Ying Wang, Huimin Zhao, Jinli Wei, Haoyuan Chen, Maroosha Javed, Linghua Zhuang, Guowei Wang.  (2025)  Synthesis, antioxidant activity, DFT simulations, molecular docking studies of Schiff base derivatives containing 2-(2-hydrazinyl) thiazole moiety.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.142150]

Foire aux 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 83-38-5, the molecular formula is C7H4Cl2O, and the molecular weight is 175.01 g/mol. InChIKey DMIYKWPEFRFTPY-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.