2-bromo-5-clorobenzaldeidi - ≥97%(GC) , CAS No.174265-12-4

CAS: 174265-12-4 Cat. No.: B124143 Formula: C₇H₄BrClO Peso molecolare: 219.46 Numero EC: 678-212-3

QUALITÀ & PUREZZA ≥97%(GC)

Synonyms

AKOS005257149 | PS-7884 | InChI=1/C7H4BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H | 5-CHLORO-2-BROMOBENZALDEHYDE | IIISHLMCTDMUHH-UHFFFAOYSA- | SY021852 | AM20060802 | IIISHLMCTDMUHH-UHFFFAOYSA-N | MFCD00462870 | A3852 | B2955 | Benzaldehyde, 2-bromo-5-chloro- |

Storage

Room temperature

Shipped In

Normale

Specifiche

Sinonimi

AKOS005257149 | PS-7884 | InChI=1/C7H4BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H | 5-CHLORO-2-BROMOBENZALDEHYDE | IIISHLMCTDMUHH-UHFFFAOYSA- | SY021852 | AM20060802 | IIISHLMCTDMUHH-UHFFFAOYSA-N | MFCD00462870 | A3852 | B2955 | Benzaldehyde, 2-bromo-5-chloro- |

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488198882

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198882

Sorrisi canonici

C1=CC(=C(C=C1Cl)C=O)Br

IUPAC Name

2-bromo-5-chlorobenzaldehyde

InChIKey

IIISHLMCTDMUHH-UHFFFAOYSA-N

INCHI

1S/C7H4BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

Isomeri SMILES

C1=CC(=C(C=C1Cl)C=O)Br

Peso molecolare

219.46

Reaxy-Rn

10423891

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10423891&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous halides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Chlorobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 64.0-68.0°C
• Peso molecolare: 219.460 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.913 Da
• Monoisotopic Mass: 217.913 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

Domande frequenti

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

This product is supplied at ≥97% 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.

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 174265-12-4, the molecular formula is C7H4BrClO, and the molecular weight is 219.46 g/mol. InChIKey IIISHLMCTDMUHH-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.