2,4-Dichloro-3-aminophenol hydrochloride - ≥98% , CAS No.61693-43-4

CAS: 61693-43-4 Cat. No.: D194216 Molecular Weight: 214.48 EC Number: 612-192-9

GRADE & PURITY ≥98%

Synonyms

S5N19I6VR4 | 3-Amino-2,4-dichlorophenol HCl | 3-amino-2,4-dichlorophenol;hydrochloride | 2,4-Dichloro-3-aminophenol hydrochloride | 2,4-Dichloro-3-aminophenol, HCl | DS-2412 | Q27288679 | AC-8154 | EN300-7374781 | SB78931 | UNII-S5N19I6VR4 | 2,4-Dichloro-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

S5N19I6VR4 | 3-Amino-2, 4-dichlorophenol HCl | 3-amino-2, 4-dichlorophenol;hydrochloride | 2, 4-Dichloro-3-aminophenol hydrochloride | 2, 4-Dichloro-3-aminophenol, HCl | DS-2412 | Q27288679 | AC-8154 | EN300-7374781 | SB78931 | UNII-S5N19I6VR4 | 2, 4-Dichloro-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1O)Cl)N)Cl.Cl
• IUPAC Name: 3-amino-2,4-dichlorophenol;hydrochloride
• InChIKey: MQWQWQBIVSVACH-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2NO.ClH/c7-3-1-2-4(10)5(8)6(3)9;/h1-2,10H,9H2;1H
• Isomeric SMILES: C1=CC(=C(C(=C1O)Cl)N)Cl.Cl
• Alternate CAS: 61693-42-3
• Molecular Weight: 214.48

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: m-Aminophenols P-chlorophenols O-chlorophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organooxygen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - Aniline or substituted anilines - 1,3-dichlorobenzene - 4-halophenol - 4-chlorophenol - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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: 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

• Sensitivity: light sensitive
• Molecular Weight: 214.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.951 Da
• Monoisotopic Mass: 212.951 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 122.000
• 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: 2

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