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

CAS: 76361-99-4 Cat. No.: B186477 分子式: C₆H₄BrNO₃ 分子量: 218 EC番号: 640-283-3

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

504767934

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

UN番号

3077

包装グループ

III

分子量

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
    • 分類 Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.