3-Bromobenzaldehyde Diethyl Acetal - ≥96% , CAS No.75148-49-1

CAS: 75148-49-1 Cat. No.: B140374 Peso molecular: 259.14 Beilstein Registry Number: 6392356 Número EC: 627-536-3

GRADE & PURITY ≥96%

Synonyms

FT-0615192 | SCHEMBL3141582 | 3-Bromobenzaldehyde diethyl acetal | AKOS005207057 | Benzene, 1-bromo-3-(diethoxymethyl)- | I12060 | DTXSID10369933 | B3822 | KDHRJLQXMOBXRV-UHFFFAOYSA-N | AS-61335 | InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0615192 | SCHEMBL3141582 | 3-Bromobenzaldehyde diethyl acetal | AKOS005207057 | Benzene, 1-bromo-3-(diethoxymethyl)- | I12060 | DTXSID10369933 | B3822 | KDHRJLQXMOBXRV-UHFFFAOYSA-N | AS-61335 | InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCOC(C1=CC(=CC=C1)Br)OCC
• IUPAC Name: 1-bromo-3-(diethoxymethyl)benzene
• InChIKey: KDHRJLQXMOBXRV-UHFFFAOYSA-N
• INCHI: 1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3
• Isómeros SMILES: CCOC(C1=CC(=CC=C1)Br)OCC
• WGK Alemania: 3
• Peso molecular: 259.14
• Beilstein: 6392356
• Reaxy-Rn: 6392356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6392356&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Bromobenzenes Aryl bromides Acetals Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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: Moisture Sensitive
• Índice de refracción: 1.514
• Punto de inflamación (°F): 219°F
• Punto de inflamación (°C): 104°C
• Punto de ebullición (°C): 88-91°C/0.8mm
• Peso molecular: 259.140 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 258.026 Da
• Monoisotopic Mass: 258.026 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 146.000
• 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