3-Bromo-2-nitrophenol - ≥97% , CAS No.76361-99-4

CAS: 76361-99-4 Cat. No.: B186477 Fórmula: C₆H₄BrNO₃ Peso molecular: 218 Número CE: 640-283-3

GRADE & PURITY ≥97%

Synonyms

Phenol, 3-bromo-2-nitro- | 3-Brom-2-nitro-phenol | Phenol, bromonitro- | PS-6257 | 2-Bromo-6-hydroxynitrobenzene | SY110013 | SCHEMBL1162131 | A838680 | BBL101673 | FT-0727132 | F13542 | 3-bromo-2-nitrophenol | 3-bromo-2-nitro-phenol | EN300-102915 | J-51

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Phenol, 3-bromo-2-nitro- | 3-Brom-2-nitro-phenol | Phenol, bromonitro- | PS-6257 | 2-Bromo-6-hydroxynitrobenzene | SY110013 | SCHEMBL1162131 | A838680 | BBL101673 | FT-0727132 | F13542 | 3-bromo-2-nitrophenol | 3-bromo-2-nitro-phenol | EN300-102915 | J-51

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504767934

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767934

Sorrisos canónicos

C1=CC(=C(C(=C1)Br)[N+](=O)[O-])O

IUPAC Name

3-bromo-2-nitrophenol

InChIKey

AUORDBJGOHYGKR-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H

SMILES isoméricas

C1=CC(=C(C(=C1)Br)[N+](=O)[O-])O

Número UN

3077

Grupo de embalagem

III

Peso molecular

218

Reaxy-Rn

3256581

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3256581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes M-bromophenols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Propriedades químicas e físicas

• Peso molecular: 218.000 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.937 Da
• Monoisotopic Mass: 216.937 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 76361-99-4, the molecular formula is C6H4BrNO3, and the molecular weight is 218 g/mol. InChIKey AUORDBJGOHYGKR-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.