2-Chloro-3,4-difluoronitrobenzene - ≥98% , CAS No.169468-83-1

CAS: 169468-83-1 Cat. No.: C191466 Formule: C₆H₂ClF₂NO₂ Poids moléculaire: 193.54 Numéro CE: 605-553-7

GRADE & PURITY ≥98%

Synonyms

Benzene, 2-chloro-3,4-difluoro-1-nitro- | 2-Chloro-3,4-difluoro-1-nitrobenzene;1-Chloro-2,3-difluoronitrobenzene | MFCD06658262 | 2-Chloro-3,4-difluoronitrobenzene | F0001-2430 | DS-1635 | SCHEMBL3723529 | AM61795 | 2-Chloro-3,4,-difluoronitrobenzene | DT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Benzene, 2-chloro-3,4-difluoro-1-nitro- | 2-Chloro-3,4-difluoro-1-nitrobenzene;1-Chloro-2,3-difluoronitrobenzene | MFCD06658262 | 2-Chloro-3,4-difluoronitrobenzene | F0001-2430 | DS-1635 | SCHEMBL3723529 | AM61795 | 2-Chloro-3,4,-difluoronitrobenzene | DT

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504767364

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767364

Sourires canoniques

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

IUPAC Name

3-chloro-1,2-difluoro-4-nitrobenzene

InChIKey

MOKXBJZRTOPIFB-UHFFFAOYSA-N

INCHI

1S/C6H2ClF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H

Isomères SMILES

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

Poids moléculaire

193.54

Reaxy-Rn

13767706

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13767706&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 Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 193.530 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.974 Da
• Monoisotopic Mass: 192.974 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 187.000
• 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

Foire aux questions

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 169468-83-1, the molecular formula is C6H2ClF2NO2, and the molecular weight is 193.54 g/mol. InChIKey MOKXBJZRTOPIFB-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.