2-Chloro-5-methylaniline - ≥98% , CAS No.95-81-8

CAS: 95-81-8 Cat. No.: C153907 Fórmula: C₇H₈ClN Peso molecular: 141.6 Número EC: 202-454-7

GRADE & PURITY ≥98%

Synonyms

Z1037551050 | EINECS 202-454-7 | SB75395 | UNII-33NGJ21B5B | 2-Chloro-5-methylaniline, 99% | 3-AMINO-4-CHLOROTOLUENE | CCRIS 2888 | 6-Chloro-m-toluidine | 4-chloro-3-amino-toluene | 6-Chlor-meta-toluidin | AM20060248 | FT-0631490 | 2-chloro-5-methylbenzen

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Z1037551050 | EINECS 202-454-7 | SB75395 | UNII-33NGJ21B5B | 2-Chloro-5-methylaniline, 99% | 3-AMINO-4-CHLOROTOLUENE | CCRIS 2888 | 6-Chloro-m-toluidine | 4-chloro-3-amino-toluene | 6-Chlor-meta-toluidin | AM20060248 | FT-0631490 | 2-chloro-5-methylbenzen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504754090

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754090

Sonrisas canónicas

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

IUPAC Name

2-chloro-5-methylaniline

InChIKey

HPSCXFOQUFPEPE-UHFFFAOYSA-N

INCHI

1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

Isómeros SMILES

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

Peso molecular

141.6

Reaxy-Rn

2205838

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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

• Sensibilidad: light&air sensitive
• Punto de inflamación (°F): 225°F
• Punto de inflamación (°C): 107°C
• Punto de ebullición (°C): 228-230 °C
• Punto de fusión (°C): 29-30 °C
• Peso molecular: 141.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.035 Da
• Monoisotopic Mass: 141.035 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 95-81-8, the molecular formula is C7H8ClN, and the molecular weight is 141.6 g/mol. InChIKey HPSCXFOQUFPEPE-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.