2,4-Dichloro-N-methylaniline - ≥97% , CAS No.35113-88-3

CAS: 35113-88-3 Cat. No.: D169801 Fórmula: C₇H₇Cl₂N Peso molecular: 176.04 Número EC: 625-519-5

GRADE & PURITY ≥97%

Synonyms

N-Methyl 2,4-dichloroaniline | FT-0629708 | 2,4-Dichloro-N-methylaniline, 97% | DTXSID80384198 | E79797 | MFCD00052853 | N1-METHYL-2,4-DICHLOROANILINE | EN300-1263428 | N-methyl-2,4-dichloroaniline | SCHEMBL989608 | AKOS000250673 | DDBLVMDBBKQXTA-UHFFFAOY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

N-Methyl 2,4-dichloroaniline | FT-0629708 | 2,4-Dichloro-N-methylaniline, 97% | DTXSID80384198 | E79797 | MFCD00052853 | N1-METHYL-2,4-DICHLOROANILINE | EN300-1263428 | N-methyl-2,4-dichloroaniline | SCHEMBL989608 | AKOS000250673 | DDBLVMDBBKQXTA-UHFFFAOY

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504762188

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762188

Sonrisas canónicas

CNC1=C(C=C(C=C1)Cl)Cl

IUPAC Name

2,4-dichloro-N-methylaniline

InChIKey

DDBLVMDBBKQXTA-UHFFFAOYSA-N

INCHI

1S/C7H7Cl2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3

Isómeros SMILES

CNC1=C(C=C(C=C1)Cl)Cl

WGK Alemania

2

Peso molecular

176.04

Reaxy-Rn

2085558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aryl chlorides Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - 1,3-dichlorobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 28-32 °C
• Peso molecular: 176.040 g/mol
• XLogP3: 3.200
• 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: 12.000 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 35113-88-3, the molecular formula is C7H7Cl2N, and the molecular weight is 176.04 g/mol. InChIKey DDBLVMDBBKQXTA-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.