3-Chloroaniline Hydrochloride - ≥99%(HPLC)(N) , CAS No.141-85-5

CAS: 141-85-5 Cat. No.: C153887 Molecular Weight: 164.03 Beilstein Registry Number: 12(2)320 EC Number: 205-506-7

GRADE & PURITY ≥99%(HPLC)(N)

Synonyms

FT-0615451 | Naphtoelan Fast Orange GC Base | Azogene Fast Orange GC Salt | Fast Orange Salt GC | 3-Chloroaniline hydrochloride | 3-chloro-aniline hydrochloride | Symulon Orange GC Base | Benzenamine, 3-chloro-, hydrochloride (1:1) | AKOS015914211 | Napht

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

FT-0615451 | Naphtoelan Fast Orange GC Base | Azogene Fast Orange GC Salt | Fast Orange Salt GC | 3-Chloroaniline hydrochloride | 3-chloro-aniline hydrochloride | Symulon Orange GC Base | Benzenamine, 3-chloro-, hydrochloride (1:1) | AKOS015914211 | Napht

Specifications & Purity

≥99%(HPLC)(N)

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥99%(HPLC)(N)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)Cl)N.Cl
• IUPAC Name: 3-chloroaniline;hydrochloride
• InChIKey: NMGHWHCTRGZZOP-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)N.Cl
• RTECS: BX1393800
• Molecular Weight: 164.03
• Beilstein: 12(2)320
• Reaxy-Rn: 3623168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3623168&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: Solubility in Water：almost transparency
• Molecular Weight: 164.030 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.996 Da
• Monoisotopic Mass: 162.996 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.900
• 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: 2

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