2,3,5-Trichlorobenzaldehyde - ≥95%(GC) , CAS No.56961-75-2

CAS: 56961-75-2 Cat. No.: T161494 Peso molecular: 209.45 Número EC: 626-196-3 PubChem CID: 92596

GRADE & PURITY ≥95%(GC)

Synonyms

2,3,5-Trichlorobenzaldehyde, 98% | DTXSID3069146 | EN300-213649 | InChI=1/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H | FT-0609445 | AKOS005254300 | CL8240 | DS-2628 | SCHEMBL189844 | 2,3,5-Trichlorobenzaldehyde | Z1269186376 | 3,3-Bis(4-chlorophenyl)pyrrol

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 3, 5-Trichlorobenzaldehyde, 98% | DTXSID3069146 | EN300-213649 | InChI=1/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H | FT-0609445 | AKOS005254300 | CL8240 | DS-2628 | SCHEMBL189844 | 2, 3, 5-Trichlorobenzaldehyde | Z1269186376 | 3, 3-Bis(4-chlorophenyl)pyrrol

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488186710
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186710
• Sonrisas canónicas: C1=C(C=C(C(=C1C=O)Cl)Cl)Cl
• IUPAC Name: 2,3,5-trichlorobenzaldehyde
• InChIKey: DJYRZTCLVDKWBL-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
• Isómeros SMILES: C1=C(C=C(C(=C1C=O)Cl)Cl)Cl
• PubChem CID: 92596
• Peso molecular: 209.45
• Reaxy-Rn: 3128172

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Chlorobenzenes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Organochloride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 72-77°C
• Peso molecular: 209.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.925 Da
• Monoisotopic Mass: 207.925 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

Referencias

1. Zhangfeng Huang, Zhu Ma, Chen Deng, Tangjie Yu, Guoming Li, Zhuowei Du, Wei You, Junbo Yang, Yi Chen, Yanlin Li, Shanyue Hou, Qiang Yang, Qian Zhang, Hao Du, Yixian Li, Hui Shu, Qianyu Liu, Changtao Peng, Yuelong Huang, Jian Yu, Yuanhua Lin, Kuan Sun, Wei Long.  (2023)  Aging-Resistant Precursor with Ultrawide Annealing Window for 24.08% Perovskite Solar Cells.  Advanced Energy Materials,  14  (1): (2302769).  [PMID:] [10.1002/aenm.202302769]