2-Chloro-6-nitrobenzaldehyde - ≥98% , CAS No.6361-22-4

CAS: 6361-22-4 Cat. No.: C414620 Molecular Weight: 185.56 EC Number: 228-831-6

GRADE & PURITY ≥98%

Synonyms

DTXSID70212991 | EN300-90577 | STL553964 | A8758 | 2-Chloro-6-nitrobenzaldehyde | 2-chloro-6-nitro-benzaldehyde | 2-chloro-6-nitro-benzaldehye | CL8272 | AM84035 | 2-Nitro-6-chlorobenzaldehyde | A1-00369 | C3593 | 2-Chloro-6-nitrobenzaldehyde, 97% | SCHEM

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-Chloro-6-nitrobenzaldehyde is useful as an organic intermediate for synthesis of benzamidazoles.

Specifications

Synonyms

DTXSID70212991 | EN300-90577 | STL553964 | A8758 | 2-Chloro-6-nitrobenzaldehyde | 2-chloro-6-nitro-benzaldehyde | 2-chloro-6-nitro-benzaldehye | CL8272 | AM84035 | 2-Nitro-6-chlorobenzaldehyde | A1-00369 | C3593 | 2-Chloro-6-nitrobenzaldehyde, 97% | SCHEM

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755476
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755476
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)C=O)[N+](=O)[O-]
• IUPAC Name: 2-chloro-6-nitrobenzaldehyde
• InChIKey: RZDOUWDCYULHJX-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)C=O)[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 185.56
• Reaxy-Rn: 1950217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950217&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitroaromatic compound - Benzaldehyde - Benzoyl - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Vinylogous halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 69-71°C
• Molecular Weight: 185.560 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.988 Da
• Monoisotopic Mass: 184.988 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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