3,4-Dichlorobenzaldehyde - ≥97% , CAS No.6287-38-3

CAS: 6287-38-3 Cat. No.: D100689 分子式: C₇H₄Cl₂O 分子量: 175.01 Beilstein Registry Number: 636379 EC番号: 228-520-5

GRADE & PURITY ≥97%

Synonyms

A834060 | CAS-6287-38-3 | M,P-DICHLOROBENZALDEHYDE | MLS002415698 | STL286531 | STR00782 | Tox21_200040 | NSC 8763 | Benzaldehyde, 3,4-dichloro- | D0332 | Z57887872 | NCGC00091729-02 | NCGC00091729-01 | 3,4-Dichloro benzaldehyde | D77681 | DICHLOROBENZALD

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

A834060 | CAS-6287-38-3 | M,P-DICHLOROBENZALDEHYDE | MLS002415698 | STL286531 | STR00782 | Tox21_200040 | NSC 8763 | Benzaldehyde, 3,4-dichloro- | D0332 | Z57887872 | NCGC00091729-02 | NCGC00091729-01 | 3,4-Dichloro benzaldehyde | D77681 | DICHLOROBENZALD

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488182778
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182778
• カノニカル・スマイル: C1=CC(=C(C=C1C=O)Cl)Cl
• IUPAC Name: 3,4-dichlorobenzaldehyde
• InChIKey: ZWUSBSHBFFPRNE-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
• 異性体SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
• WGKドイツ: 3
• UN番号: 1759
• 包装グループ: I
• 分子量: 175.01
• Beilstein: 636379
• Reaxy-Rn: 636379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636379&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• 説明: 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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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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HepG2 (196354 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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CSNK2B Tbio Casein kinase II alpha/beta (1504 Activities)

Discover Target: CSNK2B

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Air sensitive.
• 引火点（°F）: 275 °F
• 引火点（°C）: 135℃
• 沸点（°C）: 247-248°C
• 融点（°C）: 44°C
• 分子量: 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