2,4-Dichlorobenzylamine - ≥98% , CAS No.95-00-1

CAS: 95-00-1 Cat. No.: D154480 Summenformel: C₇H₇Cl₂N Molekulargewicht: 176.04 Beilstein Registry Number: 775667 EG-Nummer: 202-382-6

GRADE & PURITY ≥98%

Synonyms

2,4-Dichlorobenzylamine | 2,4-di-chlorobenzylamine | 2,4-Dichloro-benzylamine | 2,4-dichlorobenzyl-amine | Benzenemethanamine, 2,4-dichloro- | (2,4-Dichlorophenyl)methanamine | 2,4-dichlorobenzyl amine | 2,4-Dichlorobenzylamine, 97% | AKOS000120220 | InCh

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

2,4-Dichlorobenzylamine | 2,4-di-chlorobenzylamine | 2,4-Dichloro-benzylamine | 2,4-dichlorobenzyl-amine | Benzenemethanamine, 2,4-dichloro- | (2,4-Dichlorophenyl)methanamine | 2,4-dichlorobenzyl amine | 2,4-Dichlorobenzylamine, 97% | AKOS000120220 | InCh

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488179624

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179624

Kanonisches Lächeln

C1=CC(=C(C=C1Cl)Cl)CN

IUPAC Name

(2,4-dichlorophenyl)methanamine

InChIKey

SJUKJZSTBBSGHF-UHFFFAOYSA-N

INCHI

1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

Isomere SMILES

C1=CC(=C(C=C1Cl)Cl)CN

WGK Deutschland

3

Molekulargewicht

176.04

Beilstein

775667

Reaxy-Rn

775667

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775667&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 - 1,3-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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.578(lit.)
• Flammpunkt (°F): 230°F
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 83-84°C/5 mmHg(lit.)
• Molekulargewicht: 176.040 g/mol
• XLogP3: 2.300
• 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