2-(Hydroxymethyl)-5-nitrothiophene - ≥97% , CAS No.20898-85-5

CAS: 20898-85-5 Cat. No.: D302761 Peso molecular: 159.16

GRADE & PURITY ≥97%

Synonyms

AKOS006295225 | (5-nitrothiophen-2-yl)methanol | MFCD06202767 | AS-49308 | 2-Thiophenemethanol, 5-nitro- | 2-thiophenemethanol,5-nitro- | AMY14962 | NSC330182 | NSC-330182 | 2-(Hydroxymethyl)-5-nitrothiophene | SY021452 | 2-hydroxymethyl-5-nitrothiophene

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006295225 | (5-nitrothiophen-2-yl)methanol | MFCD06202767 | AS-49308 | 2-Thiophenemethanol, 5-nitro- | 2-thiophenemethanol, 5-nitro- | AMY14962 | NSC330182 | NSC-330182 | 2-(Hydroxymethyl)-5-nitrothiophene | SY021452 | 2-hydroxymethyl-5-nitrothiophene

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(SC(=C1)[N+](=O)[O-])CO
• IUPAC Name: (5-nitrothiophen-2-yl)methanol
• InChIKey: QYNOWSBTIMNUDS-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
• Isómeros SMILES: C1=C(SC(=C1)[N+](=O)[O-])CO
• Peso molecular: 159.16
• Reaxy-Rn: 1282701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Nitrothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Nitrothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-nitrothiophenes
• Alternative Parents: Nitroaromatic compounds 2,5-disubstituted thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alcohol - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
• 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

• Peso molecular: 159.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.999 Da
• Monoisotopic Mass: 158.999 Da
• Topological Polar Surface Area: 94.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 135.000
• 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