Cas no 870777-21-2 (2-(2'-Chlorobenzyloxy)phenylboronic acid)

2-(2'-Chlorobenzyloxy)phenylboronic acid is a boronic acid derivative featuring a chlorobenzyloxy substituent, which enhances its utility in cross-coupling reactions such as Suzuki-Miyaura couplings. The presence of the chlorobenzyl group improves stability and reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its boronic acid functionality allows for selective transformations under mild conditions, facilitating the construction of complex biaryl structures. The compound is typically used in controlled environments due to its sensitivity to moisture and air. Proper handling and storage under inert conditions are recommended to maintain its integrity for synthetic applications.
2-(2'-Chlorobenzyloxy)phenylboronic acid structure
870777-21-2 structure
Product Name:2-(2'-Chlorobenzyloxy)phenylboronic acid
CAS No:870777-21-2
MF:C13H12BClO3
MW:262.496582984924
MDL:MFCD06200724
CID:719174
PubChem ID:24883029
Update Time:2025-10-07

2-(2'-Chlorobenzyloxy)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-((2-Chlorobenzyl)oxy)phenyl)boronic acid
    • [2-[(2-chlorophenyl)methoxy]phenyl]boronic acid
    • 2-(2-Chlorobenzyloxy)phenylboronic acid
    • Boronic acid,B-[2-[(2-chlorophenyl)methoxy]phenyl]-
    • 2-(2'-Chlorobenzyloxy)phenylboronic acid
    • {2-[(2-Chlorophenyl)methoxy]phenyl}boronic acid
    • {2-[(2-chlorobenzyl)oxy]phenyl}boronic acid
    • OOORTTOHYXWCDV-UHFFFAOYSA-N
    • AB23047
    • OR360903
    • AX8061212
    • V8268
    • B-[2-[(2-Chlorophenyl)methoxy]phenyl]boronic acid (ACI)
    • Boronic acid, [2-[(2-chlorophenyl)methoxy]phenyl]- (9CI)
    • 2-(2′-Chlorobenzyloxy)phenylboronic acid
    • 2-(2(2)-Chlorobenzyloxy)phenylboronic acid
    • AS-65680
    • 2-[(2-CHLOROPHENYL)METHOXY]PHENYLBORONIC ACID
    • DTXSID70584544
    • CS-0173886
    • (2-((2-Chlorobenzyl)oxy)phenyl)boronicacid
    • 2-(2''-Chlorobenzyloxy)phenylboronic Acid
    • D93167
    • 870777-21-2
    • AKOS009319100
    • SCHEMBL2554369
    • MFCD06200724
    • DB-010281
    • 2-(2 inverted exclamation marka-Chlorobenzyloxy)phenylboronic acid (contains varying amounts of Anhydride)
    • VJB77721
    • MDL: MFCD06200724
    • Inchi: 1S/C13H12BClO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2
    • InChI Key: OOORTTOHYXWCDV-UHFFFAOYSA-N
    • SMILES: ClC1C(COC2C(B(O)O)=CC=CC=2)=CC=CC=1

Computed Properties

  • Exact Mass: 262.05700
  • Monoisotopic Mass: 262.0568021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 252
  • 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

Experimental Properties

  • Density: 1.3
  • Melting Point: 124-129?°C (lit.)
  • Boiling Point: 454.8°C at 760 mmHg
  • Flash Point: 228.9°C
  • Refractive Index: 1.605
  • PSA: 49.69000
  • LogP: 1.59880

2-(2'-Chlorobenzyloxy)phenylboronic acid Security Information

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

2-(2'-Chlorobenzyloxy)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%

2-(2'-Chlorobenzyloxy)phenylboronic acid Pricemore >>

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