2-Nitrodiphenylamine - ≥98%(GC) , CAS No.119-75-5

CAS: 119-75-5 Cat. No.: N138091 Fórmula: C₆H₅NHC₆H₄NO₂ Peso molecular: 214.22 Beilstein Registry Number: 2213591 Número CE: 204-348-6

GRADE & PURITY ≥98%(GC)

Synonyms

(2-nitrophenyl)phenylamine | (2-nitro-phenyl)-phenyl-amine | NSC4754 | NSC-4754 | o-(Phenylamino)nitrobenzene | MLS001004443 | (2-NITRO-PHENYL)-ANILINE | NSC105613 | NSC-105613 | ST044502 | NCGC00258274-01 | Nitrodiphenylamine, 2- | N-Phenyl-2-nitrobenzen

Storage

Room temperature

Shipped In

Normal

Visão geral

2-Nitrodiphenylamine is a double-base (DB) rocket propellant stabilizer and its microencapsulation potentially improves the shelf life of DB rocket propellants. It is one of the component of Otto Fuel II, a propellant in torpedoes.Solubilization of 2-nitrodiphenylamine, a hydrophobic polar dye molecule, in aqueous solutions of polystyrene(310)-b-poly(acrylic acid) micelles was investigated.

Specifications

Sinónimos

(2-nitrophenyl)phenylamine | (2-nitro-phenyl)-phenyl-amine | NSC4754 | NSC-4754 | o-(Phenylamino)nitrobenzene | MLS001004443 | (2-NITRO-PHENYL)-ANILINE | NSC105613 | NSC-105613 | ST044502 | NCGC00258274-01 | Nitrodiphenylamine, 2- | N-Phenyl-2-nitrobenzen

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504751667

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751667

Sorrisos canónicos

C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]

IUPAC Name

2-nitro-N-phenylaniline

InChIKey

RUKISNQKOIKZGT-UHFFFAOYSA-N

INCHI

1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H

SMILES isoméricas

C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]

WGK Alemanha

3

Número UN

1661

Grupo de embalagem

II

Peso molecular

214.22

Beilstein

2213591

Reaxy-Rn

2213591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213591&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 Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds 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 - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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Lymphoblastoid cell (5959 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Alvos associados (não humanos)

Ttr Transthyretin (14 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 214.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.074 Da
• Monoisotopic Mass: 214.074 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 234.000
• 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