3,4-ジブロモベンズアルデヒド類 - ≥99% , CAS No.74003-55-7

CAS: 74003-55-7 Cat. No.: D133582 分子式: C₇H₄Br₂O 分子量: 263.93 Beilstein Registry Number: 2573433 EC番号: 640-122-7

GRADE & PURITY ≥99%

Synonyms

Benzaldehyde, 3,4-dibromo- | EN300-99736 | BCP27251 | DTXSID40347481 | AM62562 | BIPHENYL-3-CARBOXYLICACIDHYDRAZIDE | AKOS015891096 | FD7321 | Z1269188996 | FT-0614210 | PS-7345 | SY059440 | 3,4-Dibromobenzaldehyde | 3,4-DIBROMO-BENZALDEHYDE | SCHEMBL8702

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

Benzaldehyde, 3,4-dibromo- | EN300-99736 | BCP27251 | DTXSID40347481 | AM62562 | BIPHENYL-3-CARBOXYLICACIDHYDRAZIDE | AKOS015891096 | FD7321 | Z1269188996 | FT-0614210 | PS-7345 | SY059440 | 3,4-Dibromobenzaldehyde | 3,4-DIBROMO-BENZALDEHYDE | SCHEMBL8702

仕様と純度

≥99%

保管条件

Room temperature

入荷

ノーマル

純度

≥99%

名前と識別子

パブケム・シド

504759575

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504759575

カノニカル・スマイル

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

IUPAC Name

3,4-dibromobenzaldehyde

InChIKey

UTYRZXNEFUYFCJ-UHFFFAOYSA-N

INCHI

1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

異性体SMILES

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

UN番号

3077

包装グループ

III

分子量

263.93

Beilstein

2573433

Reaxy-Rn

2573433

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573433&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 感度: Air Sensitive
• 融点（°C）: 69-72°C
• 分子量: 263.910 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.861 Da
• Monoisotopic Mass: 261.863 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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