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1,3-Diisopropylbenzene

CAS 99-62-7C6H4[CH(CH3)2]2Chemical Synthesis

1,3-Diisopropylbenzene (CAS: 99-62-7) is an organic compound with the linear formula C6H4[CH(CH3)2]2 and a molecular weight of 162.27 g/mol. This aromatic hydrocarbon features two isopropyl groups attached to a benzene ring in the meta positions. It is primarily utilized as a building block in chemical synthesis, notably in the preparation of phosphonic acid derivatives and other complex organic molecules. Its chemical structure makes it valuable for research and development in organic chemistry.

IUPAC
3-Isopropylcumene
Synonyms
C6H4[CH(CH3)2]23-IsopropylcumeneBenzene, 1,3-bis(1-methylethyl)-
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1,3-Diisopropylbenzene (C6H4[CH(CH3)2]2) — chemical structure, CAS 99-62-7; Chemistry, fine chemical supplied by Tech Serve Solutions
ArenesBioactive Small MoleculesBuilding BlocksCell BiologyChemical SynthesisDIG-DY
01 /Applications

Synthesis of Benzene-1,3,5-triphosphonic Acid

1,3-Diisopropylbenzene serves as a key precursor in the synthesis of benzene-1,3,5-triphosphonic acid. This application highlights its utility in creating phosphorus-containing organic compounds for specialized chemical research and development.

Organic Synthesis Intermediate

As an organic building block, 1,3-Diisopropylbenzene is employed in various chemical synthesis pathways. Its structure facilitates the introduction of the diisopropylbenzene moiety into larger molecules, making it a versatile reagent for creating novel compounds.

Research and Development

This compound is frequently used in academic and industrial research settings for exploring new chemical reactions and developing innovative materials. Its availability as a fine chemical supports advancements in organic chemistry and related fields.

02 /Properties
Molecular weight162.27
Linear formulaC6H4[CH(CH3)2]2
Assay96%
Boiling point203 °C(lit.)
Density0.856 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.488(lit.)
Autoignition temp840 °F
Melting point−63 °C(lit.)
Impurities tested<5% 1,2 and 1,4- isomer
Application1,3-Diisopropylbenzene was used in the synthesis of benzene-1,3,5-triphosphonic acid1.
03 /Safety & handling
Protective equipmentEyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Flash point77 °C / 170.6 °F
Transport (UN / ADR)UN 3082 9 / PGIII
Water hazard class (WGK, DE)2

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

04 /Identifiers & registry
CAS number
99-62-7
MDL number
MFCD00008889
PubChem substance
24846874
Beilstein registry
1905828
05 /Additional specifications
Gene Informationhuman ... GABRA1(2554)
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 1,3-Diisopropylbenzene used for?

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1,3-Diisopropylbenzene is primarily used as an intermediate in organic synthesis, notably in the preparation of benzene-1,3,5-triphosphonic acid. It also serves as a versatile building block in chemical research and development for creating novel organic molecules.

What are the CAS number and formula for 1,3-Diisopropylbenzene?

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The CAS number for 1,3-Diisopropylbenzene is 99-62-7, and its linear formula is C6H4[CH(CH3)2]2.

What grade and purity does Tech Serve Solutions supply for 1,3-Diisopropylbenzene?

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Tech Serve Solutions supplies 1,3-Diisopropylbenzene with an assay of 96%. Impurities include <5% 1,2 and 1,4 isomers. TSS does not represent this product as USP, BP, or EP grade; it is suitable for research and technical applications.

How is 1,3-Diisopropylbenzene handled and stored?

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1,3-Diisopropylbenzene is a combustible liquid with a flash point of 77 °C (170.6 °F) and an autoignition temperature of 840 °F. It should be handled with appropriate personal protective equipment, including eyeshields, gloves, and respiratory protection, and stored away from ignition sources in a well-ventilated area. The product is classified under UN 3082, Class 9, Packing Group III (Environmentally Hazardous Substance).

Can I get a quote or sample of 1,3-Diisopropylbenzene?

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To request a quote or sample of 1,3-Diisopropylbenzene, please contact our sales team through the TSS website or by phone. We are experienced in exporting fine chemicals globally.

Is 1,3-Diisopropylbenzene a regulated substance?

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According to the provided data, 1,3-Diisopropylbenzene is classified as an environmentally hazardous substance (UN 3082, Class 9, PG III) and has a WGK Germany rating of 2, indicating it is hazardous to water. There is no indication of it being a controlled or scheduled substance in other categories.

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