4-Bromo-3-nitrophenol - ≥95% , CAS No.78137-76-5

CAS: 78137-76-5 Cat. No.: B186603 Formula: C₆H₄BrNO₃ Peso molecolare: 218 Numero EC: 832-101-8

GRADE & PURITY ≥95%

Synonyms

FT-0647726 | A9850 | 2-Bromo-5-hydroxynitrobenzene | SY021066 | 4-bromanyl-3-nitro-phenol | DTXSID70578569 | J-514752 | A839343 | EN300-173173 | 2-Bromo-5-hydroxynitro benzene | AKOS015856521 | GS-4334 | Phenol, 4-bromo-3-nitro- | MTNZLOXGKDQNKA-UHFFFAOYS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0647726 | A9850 | 2-Bromo-5-hydroxynitrobenzene | SY021066 | 4-bromanyl-3-nitro-phenol | DTXSID70578569 | J-514752 | A839343 | EN300-173173 | 2-Bromo-5-hydroxynitro benzene | AKOS015856521 | GS-4334 | Phenol, 4-bromo-3-nitro- | MTNZLOXGKDQNKA-UHFFFAOYS

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488198982

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198982

Sorrisi canonici

C1=CC(=C(C=C1O)[N+](=O)[O-])Br

IUPAC Name

4-bromo-3-nitrophenol

InChIKey

MTNZLOXGKDQNKA-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])Br

Peso molecolare

218

Reaxy-Rn

3254090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3254090&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 P-bromophenols Nitroaromatic compounds Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 218.000 g/mol
• XLogP3: 2.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 78137-76-5, the molecular formula is C6H4BrNO3, and the molecular weight is 218 g/mol. InChIKey MTNZLOXGKDQNKA-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.