3,4-Dichlorobenzylamine - ≥98% , CAS No.102-49-8

CAS: 102-49-8 Cat. No.: D122964 Summenformel: C₇H₇Cl₂N Molekulargewicht: 176.04 Beilstein Registry Number: 508818 EG-Nummer: 203-035-1

GRADE & PURITY ≥98%

Synonyms

STR01748 | J-000701 | 3,4 diChloro benzylamine | AM82799 | EINECS 203-035-1 | 3,4-Dichlorobenzylamine, 95% | D2451 | 3,4-dichlorobezylamine | Benzylamine, 3,4-dichloro- | Integrase inhibitor, R1{1} | EN300-248977 | (3,4-Dichlorophenyl)methanamine | MFCD00

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

STR01748 | J-000701 | 3,4 diChloro benzylamine | AM82799 | EINECS 203-035-1 | 3,4-Dichlorobenzylamine, 95% | D2451 | 3,4-dichlorobezylamine | Benzylamine, 3,4-dichloro- | Integrase inhibitor, R1{1} | EN300-248977 | (3,4-Dichlorophenyl)methanamine | MFCD00

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504750493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750493
• Kanonisches Lächeln: C1=CC(=C(C=C1CN)Cl)Cl
• IUPAC Name: (3,4-dichlorophenyl)methanamine
• InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
• Isomere SMILES: C1=CC(=C(C=C1CN)Cl)Cl
• WGK Deutschland: 3
• Molekulargewicht: 176.04
• Beilstein: 508818
• Reaxy-Rn: 508818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508818&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 - 1,2-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
• 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
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): >110°C(230°F)
• Siedepunkt (°C): 140°C/17mmHg
• Molekulargewicht: 176.040 g/mol
• XLogP3: 2.500
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 102-49-8, the molecular formula is C7H7Cl2N, and the molecular weight is 176.04 g/mol. InChIKey IXHNFOOSLAWRBQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.