GRADE & PURITY ≥98%

Synonyms

5-chloro-2 nitrobenzyl alcohol | (5-Chloro-2-nitrophenyl)methanol # | A837700 | PS-5039 | EINECS 277-241-5 | Benzenemethanol, 5-chloro-2-nitro- | AKOS015969072 | MFCD00007291 | (5-chloranyl-2-nitro-phenyl)methanol | FT-0641441 | 5-Chloro-2-nitrobenzenemet

Storage

Room temperature

Shipped In

Normal

Descripción general

5-Chloro-2-nitrobenzyl alcohol was used in the synthesis of carbamates

Specifications

Sinónimos

5-chloro-2 nitrobenzyl alcohol | (5-Chloro-2-nitrophenyl)methanol # | A837700 | PS-5039 | EINECS 277-241-5 | Benzenemethanol, 5-chloro-2-nitro- | AKOS015969072 | MFCD00007291 | (5-chloranyl-2-nitro-phenyl)methanol | FT-0641441 | 5-Chloro-2-nitrobenzenemet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190282
• Sonrisas canónicas: C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-]
• IUPAC Name: (5-chloro-2-nitrophenyl)methanol
• InChIKey: ULYZTHQGJXPEFT-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 187.58
• Reaxy-Rn: 3258643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3258643&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Benzyl alcohols Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Benzyl alcohol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

• Punto de fusión (°C): 78-79°C (Lit.)
• Peso molecular: 187.580 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.004 Da
• Monoisotopic Mass: 187.004 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 171.000
• 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