2,4-Dichloro-5-fluoro-3-nitrobenzoic acid - ≥97% , CAS No.106809-14-7

CAS: 106809-14-7 Cat. No.: D115326 Peso molecular: 254 Número EC: 630-229-7

GRADE & PURITY ≥97%

Synonyms

J-001654 | EN300-257979 | 2,4-dichloro-3-nitro-5-fluoro benzoic acid | 2,4-Dichloro-5-fluoro-3-nitrobenzoicAcid | AKOS009096477 | MFCD03427137 | 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid, 97% | DTXSID10370180 | 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-001654 | EN300-257979 | 2, 4-dichloro-3-nitro-5-fluoro benzoic acid | 2, 4-Dichloro-5-fluoro-3-nitrobenzoicAcid | AKOS009096477 | MFCD03427137 | 2, 4-Dichloro-5-fluoro-3-nitrobenzoic acid, 97% | DTXSID10370180 | 2, 4-Dichloro-5-fluoro-3-nitrobenzoic acid |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192518
• Sonrisas canónicas: C1=C(C(=C(C(=C1F)Cl)[N+](=O)[O-])Cl)C(=O)O
• IUPAC Name: 2,4-dichloro-5-fluoro-3-nitrobenzoic acid
• InChIKey: PCSAPCNEJUEIGU-UHFFFAOYSA-N
• INCHI: 1S/C7H2Cl2FNO4/c8-4-2(7(12)13)1-3(10)5(9)6(4)11(14)15/h1H,(H,12,13)
• Isómeros SMILES: C1=C(C(=C(C(=C1F)Cl)[N+](=O)[O-])Cl)C(=O)O
• WGK Alemania: 3
• Peso molecular: 254
• Reaxy-Rn: 5059379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5059379&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzoic acids and derivatives
• Alternative Parents: Dichlorobenzoic acids 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Nitrobenzenes 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organofluorides Organonitrogen compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - 2,4-dichlorobenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Nitrobenzene - Benzoic acid - 1,3-dichlorobenzene - Nitroaromatic compound - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organochloride - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 193-197°C
• Peso molecular: 254.000 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 252.934 Da
• Monoisotopic Mass: 252.934 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 285.000
• 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