Cas no 849062-12-0 ((3-bromo-5-methoxyphenyl)boronic acid)

(3-bromo-5-methoxyphenyl)boronic acid structure
849062-12-0 structure
Product Name:(3-bromo-5-methoxyphenyl)boronic acid
CAS No:849062-12-0
MF:C7H8BBrO3
MW:230.851621627808
MDL:MFCD07369759
CID:719873
PubChem ID:24883874
Update Time:2024-10-26

(3-bromo-5-methoxyphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Bromo-5-methoxyphenyl)boronic acid
    • 3-Bromo-5-methoxyphenylboronic acid
    • Boronic acid,B-(3-bromo-5-methoxyphenyl)-
    • 3-Borono-5-bromoanisole
    • 3-Bromo-5-methoxybenzeneboronic acid
    • 3-BROMO-5-METHOXY-PHENYLBORONIC ACID
    • (3-Bromo-5-methoxy-phenyl)boronic acid
    • AB32238
    • AM87237
    • LS10995
    • BC001805
    • AB0030138
    • X2326
    • B-(3-Bromo-5-methoxyphenyl)boronic acid (ACI)
    • Boronic acid, (3-bromo-5-methoxyphenyl)- (9CI)
    • BP-12153
    • SY104194
    • AKOS015834232
    • CS-0046216
    • (3-Bromo-5-methoxyphenyl)boronicacid
    • 3-Bromo-5-methoxyphenylboronic acid, >=95%
    • 3-Bromo-5-methoxyphenylboronic acid(contains varying amounts of Anhydride)
    • CS-15812
    • 849062-12-0
    • DTXSID80584656
    • DB-372239
    • SCHEMBL10268964
    • MFCD07369759
    • WTSXKEODVUFEMR-UHFFFAOYSA-N
    • (3-bromo-5-methoxyphenyl)boronic acid
    • MDL: MFCD07369759
    • Inchi: 1S/C7H8BBrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
    • InChI Key: WTSXKEODVUFEMR-UHFFFAOYSA-N
    • SMILES: BrC1C=C(B(O)O)C=C(OC)C=1

Computed Properties

  • Exact Mass: 229.97500
  • Monoisotopic Mass: 229.97499 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 145
  • 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
  • Molecular Weight: 230.85

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.6±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 367.9±52.0 °C at 760 mmHg
  • Flash Point: 176.3±30.7 °C
  • Refractive Index: 1.578
  • PSA: 49.69000
  • LogP: 0.13750
  • Vapor Pressure: No data available

(3-bromo-5-methoxyphenyl)boronic acid Security Information

  • Signal Word:warning
  • Hazard Statement: Irritant
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xi
  • Storage Condition:Store at 4 ° C, -4 ° C is better

(3-bromo-5-methoxyphenyl)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%

(3-bromo-5-methoxyphenyl)boronic acid Pricemore >>

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(3-bromo-5-methoxyphenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Diethyl ether ,  Hexane ;  30 min, -70 °C
1.2 Reagents: Triisopropyl borate ;  30 min, -70 °C
1.3 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  30 min, -15 °C
1.4 -15 °C → rt
1.5 Reagents: Sulfuric acid Solvents: Water ;  rt
Reference
One-pot generation of lithium (lithiophenyl)trialkoxyborates from substituted dihalobenzenes (Hal = Br, I) and their derivatization with electrophiles
Kurach, Pawel; Lulinski, Sergiusz; Serwatowski, Janusz, European Journal of Organic Chemistry, 2008, (18), 3171-3178

(3-bromo-5-methoxyphenyl)boronic acid Raw materials

(3-bromo-5-methoxyphenyl)boronic acid Preparation Products

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