Cas no 6451-86-1 (6-Bromobenzylisovanillin)

6-Bromobenzylisovanillin is a brominated derivative of isovanillin, characterized by the introduction of a 6-bromobenzyl group to the vanillin scaffold. This modification enhances its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine substituent offers a reactive site for further functionalization, enabling cross-coupling reactions such as Suzuki or Heck reactions. Its crystalline solid form and well-defined structure ensure consistent reactivity and purity, making it suitable for precision applications. The compound’s stability under standard conditions and compatibility with common solvents further contribute to its versatility in synthetic workflows.
6-Bromobenzylisovanillin structure
6-Bromobenzylisovanillin structure
Product Name:6-Bromobenzylisovanillin
CAS No:6451-86-1
MF:C15H13BrO3
MW:321.165923833847
MDL:MFCD00666893
CID:46784
PubChem ID:10903319
Update Time:2025-05-28

6-Bromobenzylisovanillin Chemical and Physical Properties

Names and Identifiers

    • 5-Benzyloxy-2-bromo-4-methoxybenzaldehyde
    • 2-Bromo-4-methoxy-5- (benzyloxy)benzaldehyde
    • 2-Bromo-4-methoxy-5-benzyloxybenzaldehyde
    • 2-bromo-4-methoxy-5-phenylmethoxybenzaldehyde
    • Benzaldehyde,5-(benzyloxy)-2-bromo-4-methoxy- (7CI,8CI)
    • 6-Bromobenzylisovanillin
    • 2-Bromo-4-Methoxy-5-(Benzyloxy)Benzaldehyde
    • 5-(benzyloxy)-2-bromo-4-methoxybenzaldehyde
    • 6-Bromobenzyl isovanillin
    • Benzaldehyde, 2-bromo-4-methoxy-5-(phenylmethoxy)-
    • 5-benzyloxy-2-bromo-4-methoxy-benzaldehyde
    • 2-bromo-4-methoxy-5-(phenylmethoxy)benzaldehyde
    • Benzaldehyde,2-bromo-4-methoxy-5-(phenylmethoxy)-
    • PubChem14831
    • KSC621G5P
    • DS-11718
    • AKOS015889657
    • A834796
    • FT-0602479
    • AB06713
    • SCHEMBL1318429
    • 2-bromo-4-methoxy-5-(benzyloxy)benzaldehyde, AldrichCPR
    • RUBXMEDWBCBLEZ-UHFFFAOYSA-N
    • AC-14432
    • MFCD00666893
    • DTXSID60447831
    • AN-652/43285749
    • 3-BENZYLOXY-4-METHOXY-6-BROMOBENZALDEHYE
    • AMY31592
    • C76022
    • CS-0187100
    • 6451-86-1
    • A1-00586
    • MDL: MFCD00666893
    • Inchi: 1S/C15H13BrO3/c1-18-14-8-13(16)12(9-17)7-15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
    • InChI Key: RUBXMEDWBCBLEZ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C=C1C=O)OCC1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 320.00500
  • Monoisotopic Mass: 320.00481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 279
  • 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: 35.5
  • XLogP3: 3.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.421
  • Melting Point: No data available
  • Boiling Point: 427.5°C at 760 mmHg
  • Flash Point: 212.3°C
  • Refractive Index: 1.611
  • PSA: 35.53000
  • LogP: 3.84920
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

6-Bromobenzylisovanillin Security Information

6-Bromobenzylisovanillin Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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6-Bromobenzylisovanillin Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:6451-86-1)2-溴-4-甲氧基-5-芐氧基苯甲醛
Order Number:LE1932011
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:37
Price ($):discuss personally

6-Bromobenzylisovanillin Related Literature

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:6451-86-1)2-溴-4-甲氧基-5-芐氧基苯甲醛
LE1932011
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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