2,5-Dichloroaniline - ≥98% , CAS No.95-82-9

CAS: 95-82-9 Cat. No.: D103985 Molecular Weight: 162.02 Beilstein Registry Number: 1447438 EC Number: 202-455-2

GRADE & PURITY ≥98%

Synonyms

(2,5-dichlorophenyl)amine | (2,5-dichloro-phenyl)-amine | Daito scarlet salt GG | Fast scarlet ds salt | 2,5-DICHLOROANILINE | 2,5-di-chloroaniline | 2,5-DICHLORO-ANILINE | BRN 1447438 | Scarlet base irga I (free base) | 2,5-Dichloroaniline [NH2=1] | Amar

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2,5-Dichloroaniline is a grey to red to brown solid, powder, crystals, crystalline powder or chunks. 2,5-Dichloroaniline undergoes chemical copolymerization with aniline in aqueous 1M hydrochloric acid using potassium dichromate as oxidizing agent to form poly(2,5-dichloroaniline-co-aniline). 2,5-Dichloroaniline reacts with 2-hydroxy-1-naphthaldehyde to form N-[2-hydroxy-1-naphthylidene]2,5-dichloroaniline.
2,5-Dichloroaniline was used in a study to develop a fast and sensitive quantitative method for the detection of some aniline derivatives by solid-phase microextraction in gas chromatography-mass spectrometry. It was used in the accumulation of nitrite in the culture medium.

Specifications

Synonyms

(2, 5-dichlorophenyl)amine | (2, 5-dichloro-phenyl)-amine | Daito scarlet salt GG | Fast scarlet ds salt | 2, 5-DICHLOROANILINE | 2, 5-di-chloroaniline | 2, 5-DICHLORO-ANILINE | BRN 1447438 | Scarlet base irga I (free base) | 2, 5-Dichloroaniline [NH2=1] | Amar

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180363
• Canonical Smiles: C1=CC(=C(C=C1Cl)N)Cl
• IUPAC Name: 2,5-dichloroaniline
• InChIKey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
• Isomeric SMILES: C1=CC(=C(C=C1Cl)N)Cl
• WGK Germany: 3
• RTECS: BX2610000
• UN Number: 3442
• Packing Group: II
• Molecular Weight: 162.02
• Beilstein: 1447438
• Reaxy-Rn: 1447438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - 1,4-dichlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: dichloroaniline

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ether, ethanol, benzene, dilute hydrochloric acid, and carbon disulfide, slightly soluble in water.
• Sensitivity: light & Air sensitive
• Flash Point(°F): 282°F
• Flash Point(°C): 139℃
• Boil Point(°C): 251-252°C
• Melt Point(°C): 47-50°C
• Molecular Weight: 162.010 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.98 Da
• Monoisotopic Mass: 160.98 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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: 1