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Safety Information

566012

Sigma-Aldrich

3-Acetamidophenylboronic acid

≥95%

Synonym(s):

3-Acetamidobenzeneboronic acid

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About This Item

Linear Formula:
CH3CONHC6H4B(OH)2
CAS Number:
78887-39-5
Molecular Weight:
178.98
Beilstein:
3278316
MDL number:
MFCD00236013
UNSPSC Code:
12352103
PubChem Substance ID:
24880272
NACRES:
NA.22

Quality Level

100

Assay

≥95%

form

powder

mp

135 °C (lit.)

functional group

amide

SMILES string

CC(=O)Nc1cccc(c1)B(O)O

InChI

1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChI key

IBTSWKLSEOGJGJ-UHFFFAOYSA-N

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Application

Reactant involved in:
  • Suzuki-Miyaura coupling reactions
  • Trifluoromethylation

Reactant involved in the synthesis of a variety of inhibitors including:
  • NR2B subtype of NMDA receptor antagonists for antidepressant activity
  • Biphenylylmethylimidazole derivatives for use as 17,20-lyase inhibitors
  • (Indolyl)-3,5-substituted benzene analogs with antimitotic and antitumor activity
  • Substituted pyrrolidines and tetrahydrofurans as AMPA receptor positive modulators

Other Notes

Contains varying amounts of anhydride.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

566012-1G:
566012-VAR:
566012-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP2404V
MKBG0153V
MKBC1381
12308PH
08426JE

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