Aniline hydrochloride - ≥99% , CAS No.142-04-1

CAS: 142-04-1 Cat. No.: A111640 Peso molecular: 129.59 Beilstein Registry Number: 3593820 Número EC: 205-519-8

GRADE & PURITY ≥99%

Synonyms

Hydrochloride benzenamide | Tox21_302869 | EINECS 205-519-8 | NCI-C03736 hydrochloride | CAS-142-04-1 | Tox21_202304 | ANILINE HYDROCHLORIDE | Sul anilinova [Czech] | DTXSID3020091 | NSC 7910 | UNII-576R1193YL | WLN: ZR & GH | F1908-0179 | Chlorhydrate d'

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and accumulation of methemoglobin as well as the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.

Specifications

Sinónimos

Hydrochloride benzenamide | Tox21_302869 | EINECS 205-519-8 | NCI-C03736 hydrochloride | CAS-142-04-1 | Tox21_202304 | ANILINE HYDROCHLORIDE | Sul anilinova [Czech] | DTXSID3020091 | NSC 7910 | UNII-576R1193YL | WLN: ZR & GH | F1908-0179 | Chlorhydrate d'

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

The acute toxicity of anilines is associated with their in vivo activation to generate 4-hydroxyanilines and to form adducts with hemoglobin.In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the develop

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504751755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751755
• Sonrisas canónicas: C1=CC=C(C=C1)N.Cl
• IUPAC Name: aniline;hydrochloride
• InChIKey: MMCPOSDMTGQNKG-UHFFFAOYSA-N
• INCHI: 1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
• Isómeros SMILES: C1=CC=C(C=C1)N.Cl
• WGK Alemania: 2
• RTECS: CY0875000
• Número ONU: 1548
• Grupo de embalaje: III
• Peso molecular: 129.59
• Beilstein: 3593820
• Reaxy-Rn: 3593823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3593823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Solubilidad: Soluble in water (1070 g/L).
• Sensibilidad: Moisture & Light sensitive.
• Punto de inflamación (°F): 381.2 °F
• Punto de inflamación (°C): 194 °C
• Punto de ebullición (°C): 245°C
• Punto de fusión (°C): 198°C
• Peso molecular: 129.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.035 Da
• Monoisotopic Mass: 129.035 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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: 2

XLogP3

Referencias

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