2,4-Dimethylaniline Hydrochloride - ≥98% , CAS No.21436-96-4

CAS: 21436-96-4 Cat. No.: D154317 Formula: C₈H₁₁N·HCl Peso molecolare: 157.64 Numero EC: 678-348-3

GRADE & PURITY ≥98%

Synonyms

1-Amino-2,4-dimethylbenzene hydrochloride | 2,4-Dimethyl aniline hydrochloride | 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-1,2-dihydro- | Q27291321 | MFCD00060209 | X0028 | 4-Amino-1,3-dimethylbenzene hydrochloride | NCGC00258073-01 | 2,4-Dimethylani

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

1-Amino-2,4-dimethylbenzene hydrochloride | 2,4-Dimethyl aniline hydrochloride | 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-1,2-dihydro- | Q27291321 | MFCD00060209 | X0028 | 4-Amino-1,3-dimethylbenzene hydrochloride | NCGC00258073-01 | 2,4-Dimethylani

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

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

504755966

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755966

Sorrisi canonici

CC1=CC(=C(C=C1)N)C.Cl

IUPAC Name

2,4-dimethylaniline;hydrochloride

InChIKey

HFXISSJBRAPVLG-UHFFFAOYSA-N

INCHI

1S/C8H11N.ClH/c1-6-3-4-8(9)7(2)5-6;/h3-5H,9H2,1-2H3;1H

Isomeri SMILES

CC1=CC(=C(C=C1)N)C.Cl

RTECS

ZF0175000

Peso molecolare

157.64

Reaxy-Rn

3912368

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912368&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: m-Xylenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-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

• Punto di fusione (°C): 238 °C
• Peso molecolare: 157.640 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.066 Da
• Monoisotopic Mass: 157.066 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.600
• 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: 2

XLogP3

Domande frequenti

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 21436-96-4, the molecular formula is C8H11N·HCl, and the molecular weight is 157.64 g/mol. InChIKey HFXISSJBRAPVLG-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.