Cas no 868-73-5 (Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester)

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester structure
868-73-5 structure
Product Name:Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester
CAS No:868-73-5
MF:C9H14Br2O4
MW:346.013062000275
MDL:MFCD00192080
CID:723560
PubChem ID:24866099
Update Time:2025-08-03

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester
    • DIMETHYL 2,6-DIBROMOHEPTANEDIOATE
    • 2,6-Dibromoheptanedioic acid dimethyl ester
    • dimethyl 2,6-dibromoheptadioate
    • dimethyl 2,6-dibromoheptanoate
    • dimethyl 2,6-dibromopimelate
    • dimethyl-2,6-dibromoheptanedioate
    • 1,7-Dimethyl 2,6-dibromoheptanedioate (ACI)
    • Heptanedioic acid, 2,6-dibromo-, dimethyl ester (7CI, 8CI, 9CI)
    • NSC 291648
    • MDL: MFCD00192080
    • Inchi: 1S/C9H14Br2O4/c1-14-8(12)6(10)4-3-5-7(11)9(13)15-2/h6-7H,3-5H2,1-2H3
    • InChI Key: AWWJYEJSCIDADZ-UHFFFAOYSA-N
    • SMILES: O=C(C(CCCC(C(OC)=O)Br)Br)OC

Computed Properties

  • Exact Mass: 343.92600
  • Monoisotopic Mass: 343.926
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 8
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: White crystals
  • Density: 1.59?g/mL?at 25?°C(lit.)
  • Boiling Point: 130-140?°C/0.01?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.501(lit.)
  • PSA: 52.60000
  • LogP: 2.02970
  • Solubility: Insoluble in water

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Security Information

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Customs Data

  • HS CODE:2917190090
  • Customs Data:

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic acids. 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Pricemore >>

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Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Production Method

Production Method 1

Reaction Conditions
Reference
Synthesis and structure of 1-methyl-2,6-bis(electron-withdrawing group)-substituted selenabenzenes
Honda, Eiji; et al, Journal of the Chemical Society, 2001, (5), 529-536

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride ,  Bromine ,  Phosphorus tribromide
Reference
Electrochemical reductive cyclization of dimethyl dibromoalkanedioates
Satoh, Shohei; et al, Hokkaido Daigaku Kogakubu Kenkyu Hokoku, 1980, (102), 33-43

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Raw materials

Heptanedioic acid,2,6-dibromo-, 1,7-dimethyl ester Preparation Products

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