4-Chloro-2-nitroaniline - ≥99% , CAS No.89-63-4

CAS: 89-63-4 Cat. No.: C103609 Formula: C₆H₅ClN₂O₂ Peso molecolare: 172.57 Beilstein Registry Number: 512436 Numero EC: 201-925-4

GRADE & PURITY ≥99%

Synonyms

(4-chloro-2-nitrophenyl)amine | (4-chloro-2-nitro-phenyl)-amine | 1-Amino-4-chloro-2-nitrobenzene | Azoene Fast Red 3GL Base | C.I. Azoic Diazo Component 9 | Devol Red F | Q27252057 | Aniline, 4-chloro-2-nitro- | Mitsui Red 3GL Salt | Red 3G Salt | Naphto

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

(4-chloro-2-nitrophenyl)amine | (4-chloro-2-nitro-phenyl)-amine | 1-Amino-4-chloro-2-nitrobenzene | Azoene Fast Red 3GL Base | C.I. Azoic Diazo Component 9 | Devol Red F | Q27252057 | Aniline, 4-chloro-2-nitro- | Mitsui Red 3GL Salt | Red 3G Salt | Naphto

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488180230

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180230

Sorrisi canonici

C1=CC(=C(C=C1Cl)[N+](=O)[O-])N

IUPAC Name

4-chloro-2-nitroaniline

InChIKey

PBGKNXWGYQPUJK-UHFFFAOYSA-N

INCHI

1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

Isomeri SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])N

WGK Germania

2

RTECS

BX1575000

Numero UN

2237

Gruppo di imballaggio

III

Peso molecolare

172.57

Beilstein

512436

Reaxy-Rn

512436

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512436&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 Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (non umani)

Salmonella typhimurium (15756 Activities)

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

Rattus norvegicus (775804 Activities)

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

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

Discover Target: Nfe2l2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Degree of Solubility in water: 0.5 g/l 20 °C; Soluble in Ether,Alcohol,Benzene
• Punto di infiammabilità (°F): 375.8 °F
• Punto di infiammabilità (°C): 191 °C
• Punto di fusione (°C): 116-117°C
• Peso molecolare: 172.570 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.004 Da
• Monoisotopic Mass: 172.004 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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