Cas no 515831-52-4 (3-Bromo-5-ethoxy-4-methoxybenzonitrile)

3-Bromo-5-ethoxy-4-methoxybenzonitrile is a substituted benzonitrile derivative featuring bromo, ethoxy, and methoxy functional groups on an aromatic ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct substitution pattern offers versatility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex molecular architectures. The presence of both electron-donating (ethoxy, methoxy) and electron-withdrawing (bromo, nitrile) groups enhances its reactivity in selective transformations. High purity and well-defined structural characteristics make it a reliable building block for research and industrial applications requiring precise functionalization.
3-Bromo-5-ethoxy-4-methoxybenzonitrile structure
515831-52-4 structure
Product Name:3-Bromo-5-ethoxy-4-methoxybenzonitrile
CAS No:515831-52-4
MF:C10H10BrNO2
MW:256.095901966095
MDL:MFCD02256583
CID:92919
PubChem ID:4532814
Update Time:2025-10-17

3-Bromo-5-ethoxy-4-methoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-ethoxy-4-methoxybenzonitrile
    • 3-bromo-5-ethoxy-4-methoxybenzenecarbonitrile
    • 3-bromo-5-ethoxy-4-methoxy-benzonitrile
    • EN300-110907
    • AS-63865
    • 515831-52-4
    • 3-Bromo-5-ethoxy-4-methoxybenzonitrile, AldrichCPR
    • MFCD02256583
    • AKOS000305189
    • CS-0308205
    • FT-0766217
    • DTXSID00404009
    • STK437200
    • DA-16999
    • QVA83152
    • DTXCID50354863
    • MDL： MFCD02256583
    • Inchi： 1S/C10H10BrNO2/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-5H,3H2,1-2H3
    • InChI Key： CFCAZYRKZVCXAK-UHFFFAOYSA-N
    • SMILES： BrC1=CC(C#N)=CC(=C1OC)OCC

Computed Properties

  • Exact Mass: 254.98900
  • Monoisotopic Mass: 254.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • Color/Form: powder
  • Density: 1.46
  • Boiling Point: 306.5°C at 760 mmHg
  • Flash Point: 139.2°C
  • Refractive Index: 1.56
  • PSA: 42.25000
  • LogP: 2.72808
  • Solubility: Not determined

3-Bromo-5-ethoxy-4-methoxybenzonitrile Security Information

  • Hazardous Material transportation number：UN3439
  • HazardClass：6.1
  • PackingGroup：III
  • Packing Group：III
  • Hazard Level：6.1
  • Packing Group：III
  • Safety Term：6.1

3-Bromo-5-ethoxy-4-methoxybenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Bromo-5-ethoxy-4-methoxybenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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3-Bromo-5-ethoxy-4-methoxybenzonitrile
 515831-52-4 95%
5g
 $575.21 2023-09-01
Alichem
A019097285-25g
3-Bromo-5-ethoxy-4-methoxybenzonitrile
 515831-52-4 95%
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TRC
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 $ 50.00 2022-06-07
TRC
B145163-500mg
3-Bromo-5-Ethoxy-4-Methoxybenzonitrile
 515831-52-4
500mg
 $ 160.00 2022-06-07
TRC
B145163-1g
3-Bromo-5-Ethoxy-4-Methoxybenzonitrile
 515831-52-4
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 $ 250.00 2022-06-07
abcr
AB176724-1 g
3-Bromo-5-ethoxy-4-methoxybenzonitrile; .
 515831-52-4
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 €238.10 2022-06-11
abcr
AB176724-5 g
3-Bromo-5-ethoxy-4-methoxybenzonitrile; .
 515831-52-4
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 €696.60 2022-06-11
eNovation Chemicals LLC
D765763-100mg
3-Bromo-5-ethoxy-4-methoxybenzonitrile
 515831-52-4 99%
100mg
 $55 2024-06-07
eNovation Chemicals LLC
D765763-250mg
3-Bromo-5-ethoxy-4-methoxybenzonitrile
 515831-52-4 99%
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Aaron
AR003JRR-500mg
3-Bromo-5-ethoxy-4-methoxybenzonitrile
 515831-52-4 98%
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 $18.00 2025-01-22

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