4-Chlor-2-nitrobenzaldehyd - ≥98%(GC) , CAS No.5551-11-1

CAS: 5551-11-1 Cat. No.: C124179 Summenformel: C₇H₄ClNO₃ Molekulargewicht: 185.56 EG-Nummer: 226-915-7

GRADE & PURITY ≥98%(GC)

Synonyms

CL8341 | p-Chlor-o-nitrobenzaldehyd | BCP04240 | Benzaldehyde, 4-chloro-2-nitro- | DTXSID90204090 | Clomipramine Intermediates | MFCD00056104 | 4-Chloro-2-nitrobenzaldehyde | 4-chloro-2-nitro-benzaldehyde | Z1255402836 | EN300-90578 | EINECS 226-915-7 | 2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

CL8341 | p-Chlor-o-nitrobenzaldehyd | BCP04240 | Benzaldehyde, 4-chloro-2-nitro- | DTXSID90204090 | Clomipramine Intermediates | MFCD00056104 | 4-Chloro-2-nitrobenzaldehyde | 4-chloro-2-nitro-benzaldehyde | Z1255402836 | EN300-90578 | EINECS 226-915-7 | 2

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504755399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755399
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O
• IUPAC Name: 4-chloro-2-nitrobenzaldehyde
• InChIKey: MZPNQUMLOFWSEK-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
• Isomere SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O
• WGK Deutschland: 3
• Molekulargewicht: 185.56
• Reaxy-Rn: 1869009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869009&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides 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 - Aryl-aldehyde - Halobenzene - Aryl chloride - 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 - Aldehyde - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 66.0-69.0°C
• Molekulargewicht: 185.560 g/mol
• XLogP3: 1.700
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5551-11-1, the molecular formula is C7H4ClNO3, and the molecular weight is 185.56 g/mol. InChIKey MZPNQUMLOFWSEK-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.