Cas no 850567-50-9 (3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride)

3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride structure
850567-50-9 structure
Product Name:3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride
CAS No:850567-50-9
MF:C14H21BClNO4
MW:313.584843397141
MDL:MFCD06659919
CID:719768
PubChem ID:44119626
Update Time:2024-10-26

3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride
    • (3-Amino-5-Methoxycarbonyl)Benzeneboronic Acid Pinacol Ester Hydrochloride
    • 3-Amino-5-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride
    • 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, HCl
    • Benzoic acid,3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,hydrochlor...
    • Benzoic acid,3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,hydrochloride (1:1)
    • OR5553
    • METHYL 3-AMINO-5-BORONOBENZOATE, PINACOL ESTER, HCL
    • 3-Amino-5-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride 95%
    • 3-Amino-5-methoxycarbonylphenylboronic acid,pinacol
    • 3-Amino-5-(methoxycarbonyl)benzeneboronicacidpinacolesterhydrochloride95%
    • 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester hydrochloride
    • PS-9679
    • CS-0174309
    • 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester hydrochloride
    • methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;hydrochloride
    • DB-017961
    • 850567-50-9
    • DTXSID60657332
    • AKOS016001494
    • AB26636
    • Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate--hydrogen chloride (1/1)
    • Methyl3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoatehydrochloride
    • E84443
    • MFCD06659919
    • 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride
    • MDL: MFCD06659919
    • Inchi: 1S/C14H20BNO4.ClH/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10;/h6-8H,16H2,1-5H3;1H
    • InChI Key: XFBMZLLETVIICU-UHFFFAOYSA-N
    • SMILES: B1(C2=CC(N)=CC(C(OC)=O)=C2)OC(C)(C)C(C)(C)O1.Cl

Computed Properties

  • Exact Mass: 313.12500
  • Monoisotopic Mass: 313.125
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 369
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 70.8A^2

Experimental Properties

  • Melting Point: 125-127
  • Boiling Point: 458.2°C at 760 mmHg
  • Flash Point: 230.9°C
  • PSA: 70.78000
  • LogP: 2.73780

3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • Storage Condition:Sealed in dry,Room Temperature

3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, hydrochloride Pricemore >>

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