4-Bromo-3-chlorobenzaldehyde - ≥98% , CAS No.120077-69-2

CAS: 120077-69-2 Cat. No.: B190026 Formula: C₇H₄BrClO Peso molecolare: 219.46 Numero EC: 816-998-3

QUALITÀ & PUREZZA ≥98%

Synonyms

MFCD08059110 | J-514714 | LDYVDYZLCRUOTM-UHFFFAOYSA-N | AM83161 | 4-Bromo-3-chlorobenzaldehyde, AldrichCPR | Benzaldehyde,4-bromo-3-chloro- | EN300-111461 | Benzaldehyde, 4-bromo-3-chloro- | Z1269162864 | BCP14717 | AB43050 | AKOS015835300 | FT-0645763 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifiche

Sinonimi

MFCD08059110 | J-514714 | LDYVDYZLCRUOTM-UHFFFAOYSA-N | AM83161 | 4-Bromo-3-chlorobenzaldehyde, AldrichCPR | Benzaldehyde,4-bromo-3-chloro- | EN300-111461 | Benzaldehyde, 4-bromo-3-chloro- | Z1269162864 | BCP14717 | AB43050 | AKOS015835300 | FT-0645763 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488198584

Sorrisi canonici

C1=CC(=C(C=C1C=O)Cl)Br

IUPAC Name

4-bromo-3-chlorobenzaldehyde

InChIKey

LDYVDYZLCRUOTM-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC(=C(C=C1C=O)Cl)Br

Peso molecolare

219.46

Reaxy-Rn

3234319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234319&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 Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organochloride - Organohalogen compound - Organobromide - 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

• 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