5-Amino-2-chlorophenol - ≥98% , CAS No.6358-06-1

CAS: 6358-06-1 Cat. No.: A139126 Molecular Weight: 143.57 Beilstein Registry Number: 13(4)1000 EC Number: 677-109-0

GRADE & PURITY ≥98%

Synonyms

AMY13788 | 4-chloro-3-hydroxy aniline | AC-1558 | BRN 2081092 | JSCNCRWPXOTDDZ-UHFFFAOYSA-N | PS-3508 | 5-CHLORO-4-NITRO-1-BENZOFURAN-2-CARBOXYLICACID | 4-13-00-01000 (Beilstein Handbook Reference) | 3-hydroxy-4-chloroaniline | SCHEMBL1014786 | 2-Chloro-5

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY13788 | 4-chloro-3-hydroxy aniline | AC-1558 | BRN 2081092 | JSCNCRWPXOTDDZ-UHFFFAOYSA-N | PS-3508 | 5-CHLORO-4-NITRO-1-BENZOFURAN-2-CARBOXYLICACID | 4-13-00-01000 (Beilstein Handbook Reference) | 3-hydroxy-4-chloroaniline | SCHEMBL1014786 | 2-Chloro-5

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185898
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185898
• Canonical Smiles: C1=CC(=C(C=C1N)O)Cl
• IUPAC Name: 5-amino-2-chlorophenol
• InChIKey: JSCNCRWPXOTDDZ-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
• Isomeric SMILES: C1=CC(=C(C=C1N)O)Cl
• RTECS: SJ5720000
• Molecular Weight: 143.57
• Beilstein: 13(4)1000
• Reaxy-Rn: 2081092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 O-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: O-chlorophenols
• Alternative Parents: m-Aminophenols Aniline and substituted anilines Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - Aniline or substituted anilines - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.
• 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: Air Sensitive；Light sensitive
• Melt Point(°C): 160°C(lit.)
• Molecular Weight: 143.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.014 Da
• Monoisotopic Mass: 143.014 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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