2-CHLORO-2'-NITROACETANILIDE , CAS No.10147-70-3

CAS: 10147-70-3 Cat. No.: C165416 Fórmula: C₈H₇ClN₂O₃ Peso molecular: 214.61 Número CE: 680-976-8

Synonyms

STK362143 | A inverted exclamation mark-Chloro-2-nitroacetanilide | Acetamide, 2-chloro-N-(2-nitrophenyl)- | AKOS000294925 | 2-chloro-N-(2-nitrophenyl)acetamide | Z56822452 | BBL007201 | XXWVCPLQFJVURO-UHFFFAOYSA-N | Methylester of 3-Indoleacetic acid | 2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

STK362143 | A inverted exclamation mark-Chloro-2-nitroacetanilide | Acetamide, 2-chloro-N-(2-nitrophenyl)- | AKOS000294925 | 2-chloro-N-(2-nitrophenyl)acetamide | Z56822452 | BBL007201 | XXWVCPLQFJVURO-UHFFFAOYSA-N | Methylester of 3-Indoleacetic acid | 2

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

2-chloro-N-(2-nitrophenyl)acetamide

InChIKey

XXWVCPLQFJVURO-UHFFFAOYSA-N

INCHI

1S/C8H7ClN2O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5H2,(H,10,12)

SMILES isoméricas

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

Peso molecular

214.61

Reaxy-Rn

1112844

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1112844&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: Anilides Nitroaromatic compounds N-arylamides Chloroacetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Chloroacetamide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 214.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.015 Da
• Monoisotopic Mass: 214.015 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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

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 10147-70-3, the molecular formula is C8H7ClN2O3, and the molecular weight is 214.61 g/mol. InChIKey XXWVCPLQFJVURO-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.