87945-06-0

Basic information

• Product Name: 1-Chloro-3,5-diisopropylbenzene
• Synonyms: 1-Chloro-3,5-diisopropylbenzene;3,5-DIISOPROPYL-1-CHLOROBENZENE;1-chloro-3,5-dipropan-2-yl-benzene;5-Chloro-1,3-diisopropylbenzene
• CAS NO: 87945-06-0
• Molecular Formula: C12H17Cl
• Molecular Weight: 196.71638
• Mol File: 87945-06-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 221℃
• Flash Point: 106℃
• Appearance: /
• Density: 0.976
• Vapor Pressure: 0.161mmHg at 25°C
• Refractive Index: 1.502
• CAS DataBase Reference: 1-Chloro-3,5-diisopropylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Chloro-3,5-diisopropylbenzene(87945-06-0)
• EPA Substance Registry System: 1-Chloro-3,5-diisopropylbenzene(87945-06-0)

Safety Data

• Hazardous Substances Data: 87945-06-0(Hazardous Substances Data)

Usage

General Description

1-Chloro-3,5-diisopropylbenzene, also known as 1-chloro-3,5-diisopropylbenzene or 3,5-diisopropylchlorobenzene, is an organic chemical compound with the molecular formula C12H17Cl. It is a colorless to pale yellow liquid that is insoluble in water but soluble in organic solvents. 1-Chloro-3,5-diisopropylbenzene is used as an intermediate in the synthesis of various chemicals and pharmaceuticals. It is also used as a chemical intermediate in the production of fragrances, flavors, and polymers. Additionally, it is used as a solvent in some chemical reactions and as an additive in the production of specialty chemicals. It is important to handle this compound with caution as it is a flammable liquid and may cause irritation to the skin and eyes upon contact.

InChI:InChI=1/C12H17Cl/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3

Upstream product

• 49841-53-4 1-chloro-2,5-diisopropylbenzene 

Relevant articles and documents

Molar enthalpies of formation of isopropylchlorobenzenes derived from equilibrium measurements

Isomerization equilibria have been studied between 1-chloro-3-isopropyl-4-methylbenzene (I) and 1-chloro-2-isopropyl-4-methylbenzene, between 1-chloro-2,6-diisopropyl-4-methylbenzene (III) and 1-chloro-2,5-diisopropyl-4-methylbenzene (IV), and between 1-chloro-4-methylbenzene (VI) with the formation of (I) and (II) has also been studied.These experiments have been performed for the compounds in the liquid state between 303 and 403 K.From the values of the equilibrium constants following pairs of results have been calculated for ΔfH0m/(kJ.mol-1) and ΔfS0m/(J.K-1.mol-1): I=II, -(3.12 +/- 1.08) and (4.04 +/- 3.18); III=IV, (0.43 +/- 0.17) and (2.68 +/- 0.25); V=IV, -(10.08 +/- 4.86) and (5.40 +/- 13.14); IV+VI=I+II, -(0.72 +/- 0.50) and (3.42 +/- 1.46).The effects bj/(kJ.mol-1) of double and triple interactions of the functional groups have been calculated for alkylchlorobenzenes: b0Me-i-Pr=(7.6 +/- 3.9); b0i-Pr-Cl=(4.6 +/- 1.3); bpi-Pr-Cl=(1.5 +/- 1.1); bmi-Pr-Cl=0; b1.2.3i-Pr-Me-i-Pr=(7.1 +/- 5.6); b1.2.3i-Pr-Cl-i-Pr=(3.2 +/- 2.9).The effects of para- and meta-interactions of alkyl groups are equal to zero.The molar enthalpies of formation at 298.15 K of 20 alkylchlorobenzenes in the liquid state have been calculated.