3,5-Dichlorobenzoic acid - analytical standard , CAS No.51-36-5

CAS: 51-36-5 Cat. No.: D114575 Summenformel: C₇H₄Cl₂O₂ Molekulargewicht: 191.01 Beilstein Registry Number: 9344 EG-Nummer: 200-092-4

QUALITÄT & REINHEIT Analytical standard

Synonyms

STR05308 | 3,5-Dichlorobenzoic acid, 97% | DTXSID4024981 | AI3-27555 | DTXCID004981 | SY001678 | EN300-19910 | D0341 | RH-20839 | Tox21_200155 | NCGC00091834-01 | W-105901 | PS-3241 | 3,5-DICHLOROBENZOIC ACID | 3,5-Dichloro-benzoic acid | NCGC00091834-03

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

STR05308 | 3,5-Dichlorobenzoic acid, 97% | DTXSID4024981 | AI3-27555 | DTXCID004981 | SY001678 | EN300-19910 | D0341 | RH-20839 | Tox21_200155 | NCGC00091834-01 | W-105901 | PS-3241 | 3,5-DICHLOROBENZOIC ACID | 3,5-Dichloro-benzoic acid | NCGC00091834-03

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Kanonisches Lächeln

C1=C(C=C(C=C1Cl)Cl)C(=O)O

IUPAC Name

3,5-dichlorobenzoic acid

InChIKey

CXKCZFDUOYMOOP-UHFFFAOYSA-N

INCHI

1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Isomere SMILES

C1=C(C=C(C=C1Cl)Cl)C(=O)O

Molekulargewicht

191.01

Beilstein

9344

Reaxy-Rn

2044776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzoic acids
          • Ebene6 Dichlorobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acids
• Direct Parent: Dichlorobenzoic acids
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids Dichlorobenzenes Benzoyl derivatives Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,5-dichlorobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
• 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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Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 184-187°C
• Molekulargewicht: 191.010 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.959 Da
• Monoisotopic Mass: 189.959 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 51-36-5, the molecular formula is C7H4Cl2O2, and the molecular weight is 191.01 g/mol. InChIKey CXKCZFDUOYMOOP-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.