2-(Aminomethyl)-5-chlorothiophene - ≥98% , CAS No.214759-22-5

CAS: 214759-22-5 Cat. No.: A489444 Peso molecular: 147.63

GRADE & PURITY ≥98%

Synonyms

5-CHLORO-2-THIOPHENEMETHANAMINE | BS-12841 | AKOS000195943 | SCHEMBL353636 | EN300-57774 | 2-THIOPHENEMETHANAMINE,5-CHLORO- | (5-chlorothiophen-2-yl)methanamine | 1-(5-CHLORO-2-THIENYL)METHANAMINE | (5-chloro-2-thienyl)methylamine | 2-AMINOMETHYL-5-CHLORO

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-CHLORO-2-THIOPHENEMETHANAMINE | BS-12841 | AKOS000195943 | SCHEMBL353636 | EN300-57774 | 2-THIOPHENEMETHANAMINE, 5-CHLORO- | (5-chlorothiophen-2-yl)methanamine | 1-(5-CHLORO-2-THIENYL)METHANAMINE | (5-chloro-2-thienyl)methylamine | 2-AMINOMETHYL-5-CHLORO

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766433
• Sonrisas canónicas: C1=C(SC(=C1)Cl)CN
• IUPAC Name: (5-chlorothiophen-2-yl)methanamine
• InChIKey: QEEXZSPDLPRZEX-UHFFFAOYSA-N
• INCHI: 1S/C5H6ClNS/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
• Isómeros SMILES: C1=C(SC(=C1)Cl)CN
• Peso molecular: 147.63
• Reaxy-Rn: 111035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: 2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

• Índice de refracción: 1.5630 (589.3 nm 20 ºC)
• Punto de inflamación (°C): 81.1±23.2 ºC
• Punto de ebullición (°C): 76-79 ºC (3 Torr)
• Peso molecular: 147.630 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.991 Da
• Monoisotopic Mass: 146.991 Da
• Topological Polar Surface Area: 54.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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

Referencias

1. Jia Zeng, Xianchao Shang, Peng Zhang, Hongwei Wang, Yanlong Gu, Jia-Neng Tan.  (2019)  Combined Use of Deep Eutectic Solvents, Macroporous Resins, and Preparative Liquid Chromatography for the Isolation and Purification of Flavonoids and 20-Hydroxyecdysone from Chenopodium quinoa Willd.  Biomolecules,  9  (12): (776).  [PMID:31775374] [10.3390/biom9120776]