3,4-Dichloro-N-methylaniline - ≥98% , CAS No.40750-59-2

CAS: 40750-59-2 Cat. No.: D589045 Formula: C₇H₇Cl₂N Peso molecolare: 176.05 Numero EC: 626-926-0

GRADE & PURITY ≥98%

Synonyms

EN300-1253947 | FT-0614254 | BS-17030 | N1-Methyl-3,4-dichloroaniline | SCHEMBL856883 | n-methyl-3,4-dichloroaniline | 3,4-Dichloro-N-methylaniline, 97% | AKOS000254837 | BCP32327 | AM85758 | W-202676 | 3,4-dichloro-n-methylbenzenamine | A856648 | Benzena

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

EN300-1253947 | FT-0614254 | BS-17030 | N1-Methyl-3,4-dichloroaniline | SCHEMBL856883 | n-methyl-3,4-dichloroaniline | 3,4-Dichloro-N-methylaniline, 97% | AKOS000254837 | BCP32327 | AM85758 | W-202676 | 3,4-dichloro-n-methylbenzenamine | A856648 | Benzena

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504762187

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762187

Sorrisi canonici

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

IUPAC Name

3,4-dichloro-N-methylaniline

InChIKey

DUSNCFKVMGTTFK-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

Peso molecolare

176.05

Reaxy-Rn

2962410

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2962410&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 - 1,2-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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.6010
• Punto di ebollizione (°C): 150-152℃/15mm
• Peso molecolare: 176.040 g/mol
• XLogP3: 3.400
• 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