Cas no 495396-35-5 (3-Bromo-4-ethoxy-5-methoxybenzonitrile)

3-Bromo-4-ethoxy-5-methoxybenzonitrile structure
495396-35-5 structure
Product Name:3-Bromo-4-ethoxy-5-methoxybenzonitrile
CAS No:495396-35-5
MF:C10H10BrNO2
MW:256.095901966095
MDL:MFCD02256499
CID:92896
PubChem ID:329818855
Update Time:2025-09-17

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

Names and Identifiers

    • 3-Bromo-4-ethoxy-5-methoxybenzonitrile
    • 3-bromo-4-ethoxy-5-methoxybenzenecarbonitrile
    • 3-Bromo-4-Ethoxy-5-Methoxy-Benzonitrile
    • 3-Bromo-4-ethoxy-5-methoxybenzonitrile, AldrichCPR
    • DTXSID90352803
    • FT-0679445
    • AS-63863
    • 495396-35-5
    • MFCD02256499
    • AKOS000273720
    • DB-030457
    • ALBB-008938
    • BBL013654
    • STK397364
    • AK-968/40710006
    • MDL: MFCD02256499
    • Inchi: 1S/C10H10BrNO2/c1-3-14-10-8(11)4-7(6-12)5-9(10)13-2/h4-5H,3H2,1-2H3
    • InChI Key: AMMHOLOYPXBDNB-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C#N)=CC(=C1OCC)OC

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-4-ethoxy-5-methoxybenzonitrile Security Information

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

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

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