Cas no 874219-46-2 ((4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid)

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid structure
874219-46-2 structure
Product Name:(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid
CAS No:874219-46-2
MF:C9H10BClO4
MW:228.437302112579
MDL:MFCD08235062
CID:69192
PubChem ID:44119820
Update Time:2024-10-26

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid
    • 4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid
    • (4-chloro-3-ethoxycarbonylphenyl)boronic acid
    • 4-Chloro-3-(ethoxycarbony)phenylboronic acid
    • 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid
    • 5-borono-2-chloro-Benzoic acid 1-ethyl ester
    • 4-chloro-3-ethoxycarbonylphenylboronic acid
    • [4-Chloro-3-(ethoxycarbonyl)phenyl]boronic acid
    • Ethyl 5-borono-2-chlorobenzoate
    • HYQMEDIXHJXOND-UHFFFAOYSA-N
    • 1-Ethyl 5-borono-2-chlorobenzoate (ACI)
    • SCHEMBL364895
    • A842163
    • CS-W014196
    • 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid.
    • 874219-46-2
    • MFCD08235062
    • SY111052
    • (4-chloranyl-3-ethoxycarbonyl-phenyl)boronic acid
    • DTXSID30657420
    • (4-Chloro-3-(ethoxycarbonyl)phenyl)boronicacid
    • DS-14906
    • 1-Ethyl 5-borono-2-chlorobenzoate
    • DB-028802
    • 4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid, 96%
    • I12406
    • AKOS015849966
    • MDL: MFCD08235062
    • Inchi: 1S/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
    • InChI Key: HYQMEDIXHJXOND-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=CC=C(B(O)O)C=1)OCC

Computed Properties

  • Exact Mass: 228.03600
  • Monoisotopic Mass: 228.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 224
  • 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: 66.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.33
  • Melting Point: 162-164
  • Boiling Point: 392.5°C at 760 mmHg
  • Flash Point: 392.5 °C at 760 mmHg
  • Refractive Index: 1.543
  • PSA: 66.76000
  • LogP: 0.19650

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Security Information

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium acetate ,  Sodium periodate Solvents: Acetone ,  Water ;  19 h, rt
Reference
Metal-Free Coupling of Saturated Heterocyclic Sulfonylhydrazones with Boronic Acids
Allwood, Daniel M.; et al, Journal of Organic Chemistry, 2014, 79(1), 328-338

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: 1,1-Bis(diphenylphosphino)ferrocene ,  Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  22 h, rt → 80 °C
2.1 Reagents: Ammonium acetate ,  Sodium periodate Solvents: Acetone ,  Water ;  19 h, rt
Reference
Metal-Free Coupling of Saturated Heterocyclic Sulfonylhydrazones with Boronic Acids
Allwood, Daniel M.; et al, Journal of Organic Chemistry, 2014, 79(1), 328-338

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Raw materials

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Preparation Products

(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:874219-46-2)(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid
Order Number:A1092462
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:07
Price ($):183.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:874219-46-2)(4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid
A1092462
Purity:99%
Quantity:10g
Price ($):183.0
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