Ethyl 2-(4-bromo-2-nitrophenyl)acetate - ≥98% , CAS No.199328-35-3

CAS: 199328-35-3 Cat. No.: E191893 Formula: C₁₀H₁₀BrNO₄ Peso molecolare: 288.1

QUALITÀ & PUREZZA ≥98%

Synonyms

AC-26806 | ethyl (4-bromo-2-nitrophenyl)acetate | MFCD11977365 | Ethyl 4-bromo-2-nitrophenylacetate | A814092 | DS-2408 | 4-Bromo-2-nitrobenzeneacetic acid ethyl ester | Benzeneacetic acid, 4-bromo-2-nitro-, ethyl ester | ZHA32835 | ETHYL 2-(4-BROMO-2-NIT

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

AC-26806 | ethyl (4-bromo-2-nitrophenyl)acetate | MFCD11977365 | Ethyl 4-bromo-2-nitrophenylacetate | A814092 | DS-2408 | 4-Bromo-2-nitrobenzeneacetic acid ethyl ester | Benzeneacetic acid, 4-bromo-2-nitro-, ethyl ester | ZHA32835 | ETHYL 2-(4-BROMO-2-NIT

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

IUPAC Name

ethyl 2-(4-bromo-2-nitrophenyl)acetate

InChIKey

VZLHDZQLBGMIGO-UHFFFAOYSA-N

INCHI

1S/C10H10BrNO4/c1-2-16-10(13)5-7-3-4-8(11)6-9(7)12(14)15/h3-4,6H,2,5H2,1H3

Isomeri SMILES

CCOC(=O)CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Peso molecolare

288.1

Reaxy-Rn

14223882

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14223882&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Bromobenzenes Aryl bromides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 288.090 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 286.979 Da
• Monoisotopic Mass: 286.979 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 266.000
• 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 ≥98% 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 199328-35-3, the molecular formula is C10H10BrNO4, and the molecular weight is 288.1 g/mol. InChIKey VZLHDZQLBGMIGO-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.