2-Chloro-5-nitrobenzaldehyde - ≥97% , CAS No.6361-21-3

CAS: 6361-21-3 Cat. No.: C106560 Fórmula: C₇H₄ClNO₃ Peso molecular: 185.56 Beilstein Registry Number: 743764 Número CE: 228-830-0

GRADE & PURITY ≥97%

Synonyms

AM20060038 | MFCD00007293 | 1H-Indole, dihydro- | STK801572 | NSC129753 | SY002364 | BRN 0743764 | Isobenzofuran, 1,3-dihydro- | Z104484824 | 2-Chloro-5-nitrobenzaldehyde | 2-chloro-5-nitro-benzaldehyde | chloro-5-nitrobenzaldehyde | F8881-3730 | 2,3-Dihy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AM20060038 | MFCD00007293 | 1H-Indole, dihydro- | STK801572 | NSC129753 | SY002364 | BRN 0743764 | Isobenzofuran, 1,3-dihydro- | Z104484824 | 2-Chloro-5-nitrobenzaldehyde | 2-chloro-5-nitro-benzaldehyde | chloro-5-nitrobenzaldehyde | F8881-3730 | 2,3-Dihy

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488184745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184745

Sorrisos canónicos

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

IUPAC Name

2-chloro-5-nitrobenzaldehyde

InChIKey

VFVHWCKUHAEDMY-UHFFFAOYSA-N

INCHI

1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H

SMILES isoméricas

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

WGK Alemanha

2

RTECS

CU5220000

Peso molecular

185.56

Beilstein

743764

Reaxy-Rn

743764

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743764&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: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 77-81°C
• Peso molecular: 185.560 g/mol
• XLogP3: 2.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 6361-21-3, the molecular formula is C7H4ClNO3, and the molecular weight is 185.56 g/mol. InChIKey VFVHWCKUHAEDMY-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.