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3-Chloro-2,4-pentanedione

CAS 1694-29-7CH3COCHClCOCH3Chemical Synthesis

3-Chloro-2,4-pentanedione (CAS 1694-29-7), with the linear formula CH3COCHClCOCH3, is a diketone building block. This compound is valuable in organic synthesis for introducing specific functionalities. It is primarily used in chemical research and development, serving as an intermediate in the creation of more complex molecules across various scientific disciplines. Its reactive nature makes it a key component in synthetic pathways.

IUPAC
3-Chloroacetylacetone
Synonyms
3-ChloroacetylacetoneAcetyl alpha-chloroethyl ketone1-Chloropentane-2,4-dione
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3-Chloro-2,4-pentanedione (CH3COCHClCOCH3) — chemical structure, CAS 1694-29-7; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC3 to C6Carbonyl CompoundsChemical SynthesisKetones
01 /Applications

Organic Synthesis Intermediate

3-Chloro-2,4-pentanedione is employed as a versatile intermediate in the synthesis of heterocyclic compounds and other complex organic molecules. Its diketone structure with an alpha-chloro substituent allows for diverse chemical transformations.

Chemical Research and Development

This compound serves as a reagent in academic and industrial research laboratories for exploring novel synthetic routes and developing new chemical entities. It is a useful building block for creating libraries of compounds for screening purposes.

Fine Chemical Manufacturing

Utilised in the production of specialized fine chemicals, 3-Chloro-2,4-pentanedione can be incorporated into multi-step syntheses for various applications. Its specific reactivity profile is advantageous for targeted chemical manufacturing.

02 /Properties
Molecular weight134.56
Linear formulaCH3COCHClCOCH3
Assay97%
Gradeproduced by Wacker Chemie AG, Burghausen, Germany
Boiling point49-52 °C/18 mmHg(lit.)
Density1.1921 g/mL at 20 °C(lit.)
Refractive indexn20/D 1.483(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H226Flammable liquid and vapour
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentEyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point56 °C / 132.8 °F
Transport (UN / ADR)UN 1224C 3 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
1694-29-7
MDL number
MFCD00009651
PubChem substance
24846820
Beilstein registry
605870
05 /Additional specifications
Mfr NoWacker Chemie AG
06 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

07 /Frequently asked questions

What is 3-Chloro-2,4-pentanedione used for?

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3-Chloro-2,4-pentanedione is used as a building block and intermediate in organic synthesis and chemical research and development.

What is the CAS number and chemical formula for 3-Chloro-2,4-pentanedione?

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The CAS number is 1694-29-7, and the linear formula is CH3COCHClCOCH3. The molecular weight is 134.56 g/mol.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3-Chloro-2,4-pentanedione with an assay of 97%. This is a technical/research grade product, and TSS does not represent it as USP, BP, or EP grade.

How should 3-Chloro-2,4-pentanedione be handled safely?

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3-Chloro-2,4-pentanedione is a flammable liquid and vapour (H226), causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Handle with appropriate personal protective equipment, including safety glasses, gloves, and respiratory protection, in a well-ventilated area.

How is 3-Chloro-2,4-pentanedione shipped and exported?

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As a UN 1224C Class 3 substance, 3-Chloro-2,4-pentanedione is shipped and exported according to international regulations for flammable liquids.

How can I request a sample or quote for 3-Chloro-2,4-pentanedione?

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Please contact our sales team via the website or by phone to request a sample or a quotation for 3-Chloro-2,4-pentanedione.

Need 3-Chloro-2,4-pentanedione in a specific grade or volume?