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1-Chloro-3,5-diisopropylbenzene, also known as 1-chloro-3,5-diisopropylbenzene or 3,5-diisopropylchlorobenzene, is an organic chemical compound characterized by the molecular formula C12H17Cl. It presents as a colorless to pale yellow liquid, which is insoluble in water but readily soluble in organic solvents. 1-Chloro-3,5-diisopropylbenzene is recognized for its role as a versatile intermediate in the synthesis of a range of chemical and pharmaceutical products.

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  • 87945-06-0 Structure
  • Basic information

    1. Product Name: 1-Chloro-3,5-diisopropylbenzene
    2. Synonyms: 1-Chloro-3,5-diisopropylbenzene;3,5-DIISOPROPYL-1-CHLOROBENZENE;1-chloro-3,5-dipropan-2-yl-benzene;5-Chloro-1,3-diisopropylbenzene
    3. CAS NO:87945-06-0
    4. Molecular Formula: C12H17Cl
    5. Molecular Weight: 196.71638
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 87945-06-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 221℃
    3. Flash Point: 106℃
    4. Appearance: /
    5. Density: 0.976
    6. Vapor Pressure: 0.161mmHg at 25°C
    7. Refractive Index: 1.502
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-Chloro-3,5-diisopropylbenzene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Chloro-3,5-diisopropylbenzene(87945-06-0)
    12. EPA Substance Registry System: 1-Chloro-3,5-diisopropylbenzene(87945-06-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 87945-06-0(Hazardous Substances Data)

87945-06-0 Usage

Uses

Used in Chemical Synthesis:
1-Chloro-3,5-diisopropylbenzene is used as a chemical intermediate for the synthesis of various chemicals and pharmaceuticals, contributing to the development of new compounds with potential applications in different industries.
Used in Fragrance and Flavor Production:
In the fragrance and flavor industry, 1-Chloro-3,5-diisopropylbenzene is utilized as a chemical intermediate, playing a crucial role in the creation of distinct scents and tastes for a variety of products.
Used in Polymer Production:
1-Chloro-3,5-diisopropylbenzene also serves as a chemical intermediate in the production of polymers, which are essential in the manufacturing of plastics and other materials with diverse applications.
Used as a Solvent in Chemical Reactions:
1-Chloro-3,5-diisopropylbenzene is employed as a solvent in certain chemical reactions, facilitating processes that require specific conditions or the dissolution of particular substances.
Used as an Additive in Specialty Chemicals Production:
Furthermore, it is used as an additive in the production of specialty chemicals, enhancing the properties of these chemicals for specific applications.
Safety Note:
It is important to handle 1-Chloro-3,5-diisopropylbenzene with care due to its classification as a flammable liquid. Additionally, it may cause skin and eye irritation, necessitating proper safety measures during its use and storage.

Check Digit Verification of cas no

The CAS Registry Mumber 87945-06-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,9,4 and 5 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 87945-06:
(7*8)+(6*7)+(5*9)+(4*4)+(3*5)+(2*0)+(1*6)=180
180 % 10 = 0
So 87945-06-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H17Cl/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3

87945-06-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chloro-3,5-di(propan-2-yl)benzene

1.2 Other means of identification

Product number -
Other names 1-Chloro-3,5-diisopropylbenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:87945-06-0 SDS

87945-06-0Downstream Products

87945-06-0Relevant articles and documents

Molar enthalpies of formation of isopropylchlorobenzenes derived from equilibrium measurements

Nesterova, T. N.,Rozhnov, A. M.,Malova, T. N.,Kovzel, E. N.

, p. 649 - 656 (2007/10/02)

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.

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