Get FREE SHIPPING when you spend $99 or more | ATOMFAIR

Awaiting product image

Atomfair 1-Monochloropinacoline C6H11ClO CAS 13547-70-1

1-Monochloropinacoline (CAS No. 13547-70-1) , also known as 1-Chloro-3,3-dimethylbutan-2-one, is a highly specialized organic compound with the molecular formula C6H11ClO . This chlorinated ketone derivative is widely utilized in synthetic organic chemistry as a versatile building block for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure, featuring a reactive chloro group adjacent to a carbonyl moiety, makes it an excellent electrophile for nucleophilic substitution reactions, Grignard reactions, and other key transformations. The compound is supplied as a clear to pale yellow liquid with a characteristic odor, and it is recommended to store under inert conditions to maintain…

Category:

Description

1-Monochloropinacoline (CAS No. 13547-70-1), also known as 1-Chloro-3,3-dimethylbutan-2-one, is a highly specialized organic compound with the molecular formula C6H11ClO. This chlorinated ketone derivative is widely utilized in synthetic organic chemistry as a versatile building block for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure, featuring a reactive chloro group adjacent to a carbonyl moiety, makes it an excellent electrophile for nucleophilic substitution reactions, Grignard reactions, and other key transformations. The compound is supplied as a clear to pale yellow liquid with a characteristic odor, and it is recommended to store under inert conditions to maintain stability. Suitable for research and industrial applications, 1-Monochloropinacoline is available in high purity grades (≥98%) with detailed technical specifications, including GC analysis and moisture content, provided upon request. Handle with care in a well-ventilated environment, using appropriate personal protective equipment (PPE).

Properties

  • CAS Number: 13547-70-1
  • Complexity: 91.2
  • IUPAC Name: 1-chloro-3,3-dimethyl-butan-2-one
  • InChI: InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
  • InChI Key: ULSAJQMHTGKPIY-UHFFFAOYSA-N
  • Exact Mass: 134.0498427
  • Molecular Formula: C6H11ClO
  • Molecular Weight: 134.60
  • SMILES: CC(C)(C)C(=O)CCl
  • Topological: 17.1
  • Monoisotopic Mass: 134.0498427
  • Synonyms: 1-Chloropinacolone, 1-Chloro-3,3-dimethylbutan-2-one, 1-Monochloropinacoline, 2-Butanone, 1-chloro-3,3-dimethyl-, Chlorpinakolin, alpha-Chloropinacolin, alpha-Chloropinacoline, UNII-Z6QD905NNW, EINECS 236-920-6, Z6QD905NNW, 1-Chloro-3,3-dimethyl-butan-2-one, DTXSID8027749, .ALPHA.-CHLOROPINACOLIN, DTXCID907749, ULSAJQMHTGKPIY-UHFFFAOYSA-, 3,3-DIMETHYL-2-OXOBUTYL CHLORIDE, monochloropinacolin, inchi=1/c6h11clo/c1-6(2,3)5(8)4-7/h4h2,1-3h3, ulsajqmhtgkpiy-uhfffaoysa-n, 13547-70-1, 1-Chloro-3,3-dimethyl-2-butanone, tert-Butyl chloromethyl ketone, 1-Chloropinacolin, Chloropinacoline, Chloromethyl tert-butyl ketone, .alpha.-Chloropinacolone, MFCD00035688, CAS-13547-70-1, chloropinacolone, alpha-Chloropinacolone, 1-Chloropinacolone, 95%, SCHEMBL204096, CHEMBL3185760, l-chloro-3,3-dimethyl-2-butanone, NAA54770, Tox21_202148, Tox21_303424, 2,2-dimethyl-4-chloro-butan-3-one, SBB006668, STL301688, AKOS000119575, FS-4078, NCGC00249176-01, NCGC00257363-01, NCGC00259697-01, DB-042290, NS00024389, ST51038200, EN300-20185, Q27295079, F0001-0460

Application

1-Monochloropinacoline serves as a critical intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. It is employed in the preparation of heterocyclic compounds, such as pyrazoles and imidazoles, through reactions with hydrazines or amidines. The compound’s reactivity also enables its use in the construction of carbon-carbon bonds via alkylation or condensation reactions. Additionally, it finds utility in the development of specialty polymers and as a precursor for catalysts and ligands in asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

  • H227: Combustible liquid [Warning Flammable liquids]
  • H301: Toxic if swallowed [Danger Acute toxicity, oral]
  • H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
  • H315: Causes skin irritation [Warning Skin corrosion/irritation]
  • H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
  • H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

Precautionary Statements

  • P210, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

  • Flammable liquids – Category 4
  • Acute toxicity – Category 3
  • Acute toxicity – Category 3
  • Acute toxicity – Category 2
  • Skin corrosion/irritation – Category 2
  • Serious eye damage/eye irritation – Category 2
  • Specific target organ toxicity – Repeated exposure – Category 1

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

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).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products