2-Nitroaniline - ≥99% , CAS No.88-74-4

CAS: 88-74-4 Cat. No.: N108456 Formule: C₆H₆N₂O₂ Poids moléculaire: 138.13 Beilstein Registry Number: 509275 Numéro CE: 201-855-4

GRADE & PURITY ≥99%

Synonyms

Brentamine Fast Orange GR Base | o-Nitroaniline | o-nitro-aniline | 1-Amino-2-nitrobenzene | DTXSID1025726 | Azogene Fast Orange GR | CI 37025 | Azoene Fast Orange GR Base | Azoic Diazo Component 6 | CI Azoic Diazo Component 6 | NCGC00259920-01 | o-Aminon

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

Brentamine Fast Orange GR Base | o-Nitroaniline | o-nitro-aniline | 1-Amino-2-nitrobenzene | DTXSID1025726 | Azogene Fast Orange GR | CI 37025 | Azoene Fast Orange GR Base | Azoic Diazo Component 6 | CI Azoic Diazo Component 6 | NCGC00259920-01 | o-Aminon

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488180218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180218
• Sourires canoniques: C1=CC=C(C(=C1)N)[N+](=O)[O-]
• IUPAC Name: 2-nitroaniline
• InChIKey: DPJCXCZTLWNFOH-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
• Isomères SMILES: C1=CC=C(C(=C1)N)[N+](=O)[O-]
• WGK Allemagne: 1
• RTECS: BY6650000
• Numéro ONU: 1661
• Groupe d'emballage: II
• Poids moléculaire: 138.13
• Beilstein: 509275
• Reaxy-Rn: 509275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Cibles associées (humaines)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.6 g/L at 20°C).
• Sensibilité: Light sensitive.
• Point d'ébullition (°C): 284°C
• Point de fusion (°C): 70-74°C
• Poids moléculaire: 138.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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