Cas no 89544-84-3 (1-Bromocyclopropanecarboxylic acid)

1-Bromocyclopropanecarboxylic acid structure
89544-84-3 structure
Product Name:1-Bromocyclopropanecarboxylic acid
CAS No:89544-84-3
MF:C4H5BrO2
MW:164.985300779343
MDL:MFCD12922644
CID:597022
PubChem ID:12867480
Update Time:2024-10-26

1-Bromocyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Bromocyclopropanecarboxylic acid
    • 1-bromocyclopropane-1-carboxylic acid
    • Cyclopropanecarboxylic acid, 1-bromo-
    • bromocyclopropanecarboxylic
    • LGHSAVSEBATWBX-UHFFFAOYSA-N
    • 4830AC
    • 1-bromo-cyclopropane-1-carboxylic acid
    • 1-Bromocyclopropanecarboxylic acid (ACI)
    • AC-29641
    • 89544-84-3
    • CS-0043838
    • MFCD12922644
    • 1-bromocyclopropanecarboxylicacid
    • DB-103169
    • PB43772
    • AKOS006336172
    • DTXSID10511910
    • EN300-147131
    • Y10428
    • DS-16228
    • SCHEMBL2959604
    • SY107088
    • MDL: MFCD12922644
    • Inchi: 1S/C4H5BrO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
    • InChI Key: LGHSAVSEBATWBX-UHFFFAOYSA-N
    • SMILES: O=C(C1(CC1)Br)O

Computed Properties

  • Exact Mass: 163.94729g/mol
  • Monoisotopic Mass: 163.94729g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 106
  • 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: 37.3
  • XLogP3: 0.9

Experimental Properties

  • Density: 2.107±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 78 oC
  • Boiling Point: 235.1±23.0 oC (760 Torr),
  • Flash Point: 96.0±22.6 oC,
  • Solubility: Slightly soluble (25 g/l) (25 o C),

1-Bromocyclopropanecarboxylic acid Pricemore >>

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1-Bromocyclopropanecarboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  12 h, rt
Reference
General and Scalable Approach to Trifluoromethyl-substituted Cyclopropanes
Ahunovych, Volodymyr; Klipkov, Anton A.; Bugera, Maksym; Tarasenko, Karen; Trofymchuk, Serhii; et al, Journal of Organic Chemistry, 2023, 88(6), 3859-3870

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  0 °C; 12 h, rt
Reference
General and scalable approach to trifluoromethyl-substituted cyclopropanes
Ahunovych, Volodymyr; Klipkov, Anton A.; Bugera, Maksym; Tarasenko, Karen; Trofymchuk, Serhii; et al, ChemRxiv, 2023, 1, 1-6

Production Method 3

Reaction Conditions
Reference
g-Butyrolactone
Boukouvalas, John, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Potassium bromide Catalysts: Formic acid
Reference
Diazotization of 1-aminocyclopropanecarboxylic acid. Solution chemistry of oxaspiropentanone
Pirrung, Michael C.; Brown, William L., Journal of the American Chemical Society, 1990, 112(17), 6388-9

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Diethyl ether ,  Toluene ,  Water
Reference
Trispiro[2.1.2.1.2.1]dodecane-4,8,12-trione and other oligomers of carbonylcyclopropane. The organozinc route
Hoffmann, H. Martin R.; Eggert, Ulrike; Walenta, Angela; Weineck, Edeltraut; Schomburg, Dietmar; et al, Journal of Organic Chemistry, 1989, 54(26), 6096-100

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Water Solvents: Water
Reference
Trispiro[2.1.2.1.2.1]dodecane-4,8,12-trione
Hoffmann, H. M. R.; Walenta, Angela; Eggert, Ulrike; Schamburg, Dietmar, Angewandte Chemie, 1985, 97(7), 599-600

1-Bromocyclopropanecarboxylic acid Raw materials

1-Bromocyclopropanecarboxylic acid Preparation Products

1-Bromocyclopropanecarboxylic acid Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:89544-84-3)1-Bromocyclopropanecarboxylic acid
Order Number:A861143
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:28
Price ($):419.0/1468.0

1-Bromocyclopropanecarboxylic acid Related Literature

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Amadis Chemical Company Limited
(CAS:89544-84-3)1-Bromocyclopropanecarboxylic acid
A861143
Purity:99%/99%
Quantity:5g/25g
Price ($):419.0/1468.0
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