Cas no 849052-21-7 (3-Isobutoxyphenylboronic acid)

3-Isobutoxyphenylboronic acid structure
3-Isobutoxyphenylboronic acid structure
Product Name:3-Isobutoxyphenylboronic acid
CAS No:849052-21-7
MF:C10H15BO3
MW:194.035303354263
MDL:MFCD06411370
CID:716659
PubChem ID:24883397
Update Time:2024-10-26

3-Isobutoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Isobutoxyphenylboronic acid
    • [3-(2-methylpropoxy)phenyl]boronic acid
    • Boronic acid,B-[3-(2-methylpropoxy)phenyl]-
    • 3-Isobutoxyphenylboronic acid ,97%
    • Boronic acid, B-[3-(2-methylpropoxy)phenyl]-
    • m-isobutoxyphenylboronic acid
    • DB-010601
    • 3-Isobutoxyphenylboronicacid
    • MFCD06411370
    • TZOSYEUNKIDTBY-UHFFFAOYSA-N
    • BP-12149
    • (3-Isobutoxyphenyl)boronic acid
    • BS-24185
    • DTXSID50584582
    • SCHEMBL691975
    • 849052-21-7
    • 3-isobutoxyphenyl boronic acid
    • CS-0174516
    • AKOS009319104
    • AB25286
    • 3-(2-METHYLPROPOXY)PHENYLBORONIC ACID
    • MDL: MFCD06411370
    • Inchi: 1S/C10H15BO3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
    • InChI Key: TZOSYEUNKIDTBY-UHFFFAOYSA-N
    • SMILES: B(C1=CC=CC(OCC(C)C)=C1)(O)O

Computed Properties

  • Exact Mass: 194.11100
  • Monoisotopic Mass: 194.1114245g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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: 49.7?2

Experimental Properties

  • Density: 1.08
  • Melting Point: 90-95?°C (lit.)
  • Boiling Point: 344°C at 760 mmHg
  • Flash Point: 161.9°C
  • Refractive Index: 1.508
  • PSA: 49.69000
  • LogP: 0.40120

3-Isobutoxyphenylboronic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

3-Isobutoxyphenylboronic 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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