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Atomfair 1-Propylboronic acid C3H9BO2 CAS 17745-45-8

1-Propylboronic Acid (CAS No. 17745-45-8) is an organoboron compound with the molecular formula C3H9BO2. This high-purity reagent is widely used in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its excellent reactivity and stability. The compound is supplied as a white to off-white crystalline powder with a purity of ≥95%, ensuring consistent performance in research and industrial applications. Its IUPAC name, propylboronic acid , reflects its structure as a boronic acid derivative with a propyl substituent. Proper storage under inert conditions (e.g., nitrogen or argon) at 2-8°C is recommended to maintain its integrity. Key Features: Molecular Weight: 87.91 g/mol…

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Description

1-Propylboronic Acid (CAS No. 17745-45-8) is an organoboron compound with the molecular formula C3H9BO2. This high-purity reagent is widely used in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its excellent reactivity and stability. The compound is supplied as a white to off-white crystalline powder with a purity of ≥95%, ensuring consistent performance in research and industrial applications. Its IUPAC name, propylboronic acid, reflects its structure as a boronic acid derivative with a propyl substituent. Proper storage under inert conditions (e.g., nitrogen or argon) at 2-8°C is recommended to maintain its integrity.

Key Features:

  • Molecular Weight: 87.91 g/mol
  • Synonyms: n-Propylboronic acid, 1-PROPYLBORONIC ACID
  • Highly soluble in common organic solvents (THF, DMSO, methanol)
  • Ideal for catalytic transformations and pharmaceutical intermediate synthesis

Properties

  • CAS Number: 17745-45-8
  • Complexity: 30
  • IUPAC Name: propylboronic acid
  • InChI: InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
  • InChI Key: JAQOMSTTXPGKTN-UHFFFAOYSA-N
  • Exact Mass: 88.0695597
  • Molecular Formula: C3H9BO2
  • Molecular Weight: 87.92
  • SMILES: B(CCC)(O)O
  • Topological: 40.5
  • Monoisotopic Mass: 88.0695597
  • Synonyms: 1-PROPYLBORONIC ACID, 681-581-3, Propylboronic acid, n-Propylboronic acid, 17745-45-8, Boronic acid, B-propyl-, 1-Propaneboronic acid, MFCD01074564, NSC-518339, Boronic acid, propyl-, Propylboronicacid, 1-propaneboronic, propyl boronic acid, dihydroxypropylborane, B-Propylboronic acid, 73TJ7U4MDQ, SCHEMBL131828, SCHEMBL7352031, SCHEMBL7352037, DTXSID90325794, n-Propylboronic acid, AldrichCPR, BDBM152688, NSC518339, 1-Propylboronic acid (C3-B(OH)2), AKOS009462782, AB08045, CS-W007470, GS-6753, HY-W007470, NSC 518339, FP142574, SY030878, DB-009804, P1942, EN300-149189, Propylboronic Acid (contains varying amounts of Anhydride)

Application

1-Propylboronic acid is a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions to form C-C bonds in biaryl systems. It serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Researchers also utilize it in Petasis reactions and as a precursor for boron-containing polymers.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (97.7%)

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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