Cas no 870778-93-1 (3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid)

3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid structure
870778-93-1 structure
Product Name:3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid
CAS No:870778-93-1
MF:C20H27BO4
MW:342.236986398697
MDL:MFCD07784350
CID:719191
PubChem ID:24883808
Update Time:2025-04-19

3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-((4-(Heptyloxy)phenoxy)methyl)phenyl)boronic acid
    • (3-((4-(Heptyloxy)phenoxy)methyl)-phenyl)boronic acid
    • 3-(4'-HEPTYLOXYPHENOXYMETHYL)PHENYLBORO
    • 3-(4-Heptyloxyphenoxymethyl)phenylboronic acid
    • Boronic acid,B-[3-[[4-(heptyloxy)phenoxy]methyl]phenyl]-
    • [3-[(4-heptoxyphenoxy)methyl]phenyl]boronic acid
    • 3-(4'-HeptyloxyphenoxyMethyl)phenylboronic acid
    • DTXSID00584638
    • BS-22486
    • MFCD07784350
    • C20H27BO4
    • (3-{[4-(Heptyloxy)phenoxy]methyl}phenyl)boronic acid
    • SCHEMBL2555997
    • CS-0174219
    • 3-(4'-HEPTYLOXYPHENOXYMETHYL)PHENYLBORO&
    • (3-((4-(Heptyloxy)phenoxy)methyl)phenyl)boronicacid
    • A862880
    • 870778-93-1
    • AKOS015893164
    • VJB77893
    • 3-(4''-Heptyloxyphenoxymethyl)phenylboronic Acid
    • 3-[4-(HEPTYLOXY)PHENOXYMETHYL]PHENYLBORONIC ACID
    • 3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid
    • MDL: MFCD07784350
    • Inchi: 1S/C20H27BO4/c1-2-3-4-5-6-14-24-19-10-12-20(13-11-19)25-16-17-8-7-9-18(15-17)21(22)23/h7-13,15,22-23H,2-6,14,16H2,1H3
    • InChI Key: YUUHHALRCQFRSL-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)OCC1C=CC=C(B(O)O)C=1)CCCCCCC

Computed Properties

  • Exact Mass: 342.20000
  • Monoisotopic Mass: 342.2002395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 11
  • Complexity: 332
  • 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: 58.9?2

Experimental Properties

  • Melting Point: 159-164?°C
  • PSA: 58.92000
  • LogP: 3.29460

3-(4'-Heptyloxyphenoxymethyl)phenylboronic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

3-(4'-Heptyloxyphenoxymethyl)phenylboronic 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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