4-Nitroaniline solution - analytical standard, 1000ug/ml in methanol , CAS No.100-01-6

CAS: 100-01-6 Cat. No.: N117383 Summenformel: C₆H₆N₂O₂ Molekulargewicht: 138.12 Beilstein Registry Number: 508690 EG-Nummer: 202-810-1

QUALITÄT & REINHEIT Analytical standard, 1000ug/ml in methanol

Synonyms

DTXSID8020961 | InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H | NCGC00091426-02 | 4-Nitroaniline, >=99% | Fast Red GG Salt | MFCD00007858 | Nitrazol CF extra | p-Nitroaniline | Fast Red Salt 2J | Red 2G Base | SMR001372024 | 4-Nitroaniline, 99% | CHEB

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Spezifikationen

Synonyme

DTXSID8020961 | InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H | NCGC00091426-02 | 4-Nitroaniline, >=99% | Fast Red GG Salt | MFCD00007858 | Nitrazol CF extra | p-Nitroaniline | Fast Red Salt 2J | Red 2G Base | SMR001372024 | 4-Nitroaniline, 99% | CHEB

Spezifikationen & Reinheit

analytical standard, 1000ug/ml in methanol

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528771471

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771471

Kanonisches Lächeln

C1=CC(=CC=C1N)[N+](=O)[O-]

IUPAC Name

4-nitroaniline

InChIKey

TYMLOMAKGOJONV-UHFFFAOYSA-N

INCHI

1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2

Isomere SMILES

C1=CC(=CC=C1N)[N+](=O)[O-]

WGK Deutschland

2

RTECS

BY7000000

UN-Nummer

1661

Verpackungsgruppe

II

Molekulargewicht

138.12

Beilstein

508690

Reaxy-Rn

508690

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508690&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: a small molecule

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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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, slightly soluble in benzene, soluble in ethanol, ether, acetone, and easily soluble in alcohol.
• Empfindlichkeit: Light sensitive.
• Flammpunkt (°C): 199 °C
• Siedepunkt (°C): 332 °C
• Schmelzpunkt (°C): 146°C
• Molekulargewicht: 138.120 g/mol
• XLogP3: 1.400
• 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: 124.000
• 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