4-Chloro-2,5-dimethylaniline - ≥98% , CAS No.20782-94-9

CAS: 20782-94-9 Cat. No.: C153965 Formula: C₈H₁₀ClN Peso molecolare: 155.63 Numero EC: 678-673-0

GRADE & PURITY ≥98%

Synonyms

4-CHLORO-2,5-XYLIDINE | SY050504 | AKOS005254782 | DTXSID30491649 | AMY38370 | SCHEMBL203360 | ?4-Chloro-2,5-dimethylaniline | POEANWWEPFQEEF-UHFFFAOYSA-N | BBL101750 | A814890 | DS-4917 | CK1172 | EN300-170902 | STL555547 | C3145 | MFCD08445705 | Benzena

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

4-CHLORO-2,5-XYLIDINE | SY050504 | AKOS005254782 | DTXSID30491649 | AMY38370 | SCHEMBL203360 | ?4-Chloro-2,5-dimethylaniline | POEANWWEPFQEEF-UHFFFAOYSA-N | BBL101750 | A814890 | DS-4917 | CK1172 | EN300-170902 | STL555547 | C3145 | MFCD08445705 | Benzena

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504767064

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767064

Sorrisi canonici

CC1=CC(=C(C=C1Cl)C)N

IUPAC Name

4-chloro-2,5-dimethylaniline

InChIKey

POEANWWEPFQEEF-UHFFFAOYSA-N

INCHI

1S/C8H10ClN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1Cl)C)N

Peso molecolare

155.63

Reaxy-Rn

2637860

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2637860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di fusione (°C): 93 °C
• Peso molecolare: 155.620 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 155.05 Da
• Monoisotopic Mass: 155.05 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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