4-Bromo-2-t-butoxy-1-nitrobenzene - ≥97% , CAS No.1187386-34-0

CAS: 1187386-34-0 Cat. No.: B179955 Peso molecular: 274.1

GRADE & PURITY ≥97%

Synonyms

AKOS015835514 | 4-Bromo-2-tert-butoxy-1-nitrobenzene | DTXSID90675100 | SCHEMBL14721647 | 4-Bromo-2-(tert-butoxy)-1-nitrobenzene | BS-25415 | MFCD09909345 | 4-BROMO-2-T-BUTOXY-1-NITROBENZENE | 1187386-34-0 | OBNMIXKTQATJQY-UHFFFAOYSA-N | FT-0767314 | 4-br

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015835514 | 4-Bromo-2-tert-butoxy-1-nitrobenzene | DTXSID90675100 | SCHEMBL14721647 | 4-Bromo-2-(tert-butoxy)-1-nitrobenzene | BS-25415 | MFCD09909345 | 4-BROMO-2-T-BUTOXY-1-NITROBENZENE | 1187386-34-0 | OBNMIXKTQATJQY-UHFFFAOYSA-N | FT-0767314 | 4-br

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC1=C(C=CC(=C1)Br)[N+](=O)[O-]
• IUPAC Name: 4-bromo-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
• InChIKey: OBNMIXKTQATJQY-UHFFFAOYSA-N
• INCHI: 1S/C10H12BrNO3/c1-10(2,3)15-9-6-7(11)4-5-8(9)12(13)14/h4-6H,1-3H3
• Isómeros SMILES: CC(C)(C)OC1=C(C=CC(=C1)Br)[N+](=O)[O-]
• Peso molecular: 274.1
• Reaxy-Rn: 23413215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23413215&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: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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: 274.110 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273 Da
• Monoisotopic Mass: 273 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• 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