Cas no 515848-04-1 (3-Bromo-5-methoxy-4-propoxybenzonitrile)

3-Bromo-5-methoxy-4-propoxybenzonitrile structure
515848-04-1 structure
Product Name:3-Bromo-5-methoxy-4-propoxybenzonitrile
CAS No:515848-04-1
MF:C11H12BrNO2
MW:270.122482299805
MDL:MFCD02256505
CID:92926
PubChem ID:329818856
Update Time:2025-04-18

3-Bromo-5-methoxy-4-propoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-methoxy-4-n-propoxybenzonitrile
    • 3-BROMO-5-METHOXY-4-PROPOXYBENZONITRILE
    • 3-bromo-5-methoxy-4-propoxybenzenecarbonitrile
    • F3099-6744
    • CS-0314741
    • MFCD02256505
    • DTXSID70364489
    • 515848-04-1
    • FT-0679447
    • AKOS000273730
    • AS-64330
    • 3-Bromo-5-methoxy-4-propoxybenzonitrile, AldrichCPR
    • Oprea1_238900
    • ALBB-008942
    • BBL013655
    • STK408907
    • 3-Bromo-5-methoxy-4-propoxybenzonitrile
    • MDL: MFCD02256505
    • Inchi: 1S/C11H12BrNO2/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-6H,3-4H2,1-2H3
    • InChI Key: PLJGWERCISNRNX-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C#N)=CC(=C1OCCC)OC

Computed Properties

  • Exact Mass: 269.00500
  • Monoisotopic Mass: 269.005
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 238
  • 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
  • Topological Polar Surface Area: 42.2A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.41
  • Boiling Point: 321.8°C at 760 mmHg
  • Flash Point: 148.4°C
  • Refractive Index: 1.552
  • PSA: 42.25000
  • LogP: 3.11818
  • Solubility: Not determined

3-Bromo-5-methoxy-4-propoxybenzonitrile 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-methoxy-4-propoxybenzonitrile 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-methoxy-4-propoxybenzonitrile Pricemore >>

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