2,3-Dichlorobenzylamine - ≥98%(GC) , CAS No.39226-95-4

CAS: 39226-95-4 Cat. No.: D136303 Molecular Weight: 176.04 EC Number: 625-018-1

GRADE & PURITY ≥98%(GC)

Synonyms

(2,3-Dichlorophenyl)methanamine # | A6572 | D2924 | 1-(2,3-dichlorophenyl)methanamine | CK2415 | DTXSID30343119 | 2,3-Dichlorobenzylamine, 97% | AS-45902 | [(2,3-Dichlorophenyl)methyl]amine | SY016813 | InChI=1/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Describtion:

2,3-Dichlorobenzylamine is a halogenated benzylamine derivative. It undergoes oxidation with hydrogen peroxide in the presence of V2O5 to afford N-(2,3-dichlorobenzyl) 2,3-dichlorobenzaldimine.

Product Application:

2,3-Dichlorobenzylamine may be used in the synthesis of 5-(2′,3′-dichlorobenzylamino)uracil and 8-substituted quinolines.

Specifications

Synonyms

(2, 3-Dichlorophenyl)methanamine # | A6572 | D2924 | 1-(2, 3-dichlorophenyl)methanamine | CK2415 | DTXSID30343119 | 2, 3-Dichlorobenzylamine, 97% | AS-45902 | [(2, 3-Dichlorophenyl)methyl]amine | SY016813 | InChI=1/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H, 4, 10H

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504759381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759381
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)Cl)CN
• IUPAC Name: (2,3-dichlorophenyl)methanamine
• InChIKey: JHBVZGONNIVXFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)Cl)CN
• WGK Germany: 3
• Molecular Weight: 176.04
• Reaxy-Rn: 2639296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639296&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: Phenylmethylamines Benzylamines Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - Aralkylamine - Aryl halide - Aryl chloride - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen 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: 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

Associated Targets(Human)

PNMT Tchem Phenylethanolamine N-methyltransferase (1 Activities)

Discover Target: PNMT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.58
• Flash Point(°F): 221 °F
• Flash Point(°C): 105°C(lit.)
• Boil Point(°C): 140 °C
• Molecular Weight: 176.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.996 Da
• Monoisotopic Mass: 174.996 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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