Cas no 35970-34-4 (3,4-(Trimethylenedioxy)phenacyl bromide)

3,4-(Trimethylenedioxy)phenacyl bromide structure
35970-34-4 structure
Product Name:3,4-(Trimethylenedioxy)phenacyl bromide
CAS No:35970-34-4
MF:C11H11BrO3
MW:271.107242822647
CID:89176
PubChem ID:2776389
Update Time:2025-04-18

3,4-(Trimethylenedioxy)phenacyl bromide Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one
    • 7-Bromoacetyl-3,4-dihydro-1,5-benzodioxepin
    • 2-BROMO-1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE
    • 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
    • 5-(BroMoMethyl)-2-Methylpyridine hydrobroMide
    • 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanone
    • 2-bromo-1-(3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)ethanone
    • 3,4-(trimethylenedioxy)phenacyl bromide
    • BB_SC-4207
    • Brommethyl-3,4-dihydro-1,5-benzodioxepin-7-yl-keton
    • F0001-1034
    • CS-W004019
    • 2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone, AldrichCPR
    • SR-01000073165
    • SCHEMBL2985748
    • A874484
    • FT-0611332
    • AS-71823
    • YJSZSLGVTLSCRU-UHFFFAOYSA-N
    • J-508142
    • SR-01000073165-1
    • MFCD00218462
    • DTXSID00380036
    • EN300-14100
    • 35970-34-4
    • 2-bromo-1-(3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)ethanone
    • Z96092063
    • AKOS000210501
    • BBL010228
    • STK711196
    • DB-005985
    • 3,4-(Trimethylenedioxy)phenacyl bromide
    • MDL: MFCD00218462
    • Inchi: 1S/C11H11BrO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6H,1,4-5,7H2
    • InChI Key: YJSZSLGVTLSCRU-UHFFFAOYSA-N
    • SMILES: BrCC(C1C=CC2=C(C=1)OCCCO2)=O

Computed Properties

  • Exact Mass: 269.98900
  • Monoisotopic Mass: 269.989
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 35.5A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.499
  • Melting Point: 73-75°C
  • Boiling Point: 373.8°Cat760mmHg
  • Flash Point: 179.8°C
  • Refractive Index: 1.57
  • PSA: 35.53000
  • LogP: 2.42550
  • Solubility: Insoluble

3,4-(Trimethylenedioxy)phenacyl bromide Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material transportation number:UN1759
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: C
  • Packing Group:III
  • Hazard Level:8
  • HazardClass:8
  • PackingGroup:III
  • Safety Term:8
  • Packing Group:III
  • Risk Phrases:R36/37/38

3,4-(Trimethylenedioxy)phenacyl bromide Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,4-(Trimethylenedioxy)phenacyl bromide Pricemore >>

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