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

CAS: 75148-49-1 Cat. No.: B140374 Summenformel: C₁₁H₁₅BrO₂ Molekulargewicht: 259.14 Beilstein Registry Number: 6392356 EG-Nummer: 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

Synonyme

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-

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

528758963

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758963

Kanonisches Lächeln

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

Isomere SMILES

CCOC(C1=CC(=CC=C1)Br)OCC

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive
• Brechungsindex: 1.514
• Flammpunkt (°F): 219°F
• Flammpunkt (°C): 104°C
• Siedepunkt (°C): 88-91°C/0.8mm
• Molekulargewicht: 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