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CAS

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821-76-1

1,7-Dichloroheptane, with the molecular formula C7H14Cl2, is a colorless liquid characterized by a strong, chloroform-like odor. It is a chemical compound that serves as a versatile intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.

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  • 821-76-1 Structure

  • Basic information

    1. Product Name: 1,7-DICHLOROHEPTANE
    2. Synonyms: 1,7-dichloro-heptan;1,7-Dichloro-n-heptane;Heptane, 1,7-dichloro-;1,7-DICHLOROHEPTANE;HEPTAMETHYLENE CHLORIDE;HEPTAMETHYLENE DICHLORIDE;Dichloroheptane;Heptamethylene Chloride Heptamethylene Dichloride
    3. CAS NO:821-76-1
    4. Molecular Formula: C7H14Cl2
    5. Molecular Weight: 169.09
    6. EINECS: N/A
    7. Product Categories: alpha,omega-Bifunctional Alkanes;alpha,omega-Dichloroalkanes;Monofunctional & alpha,omega-Bifunctional Alkanes
    8. Mol File: 821-76-1.mol

  • Chemical Properties

    1. Melting Point: 23.5°C (estimate)
    2. Boiling Point: 198.96°C (estimate)
    3. Flash Point: 83.1°C
    4. Appearance: /
    5. Density: 1.0408
    6. Vapor Pressure: 0.166mmHg at 25°C
    7. Refractive Index: 1.4565
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1,7-DICHLOROHEPTANE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1,7-DICHLOROHEPTANE(821-76-1)
    12. EPA Substance Registry System: 1,7-DICHLOROHEPTANE(821-76-1)

  • 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: 821-76-1(Hazardous Substances Data)

821-76-1 Usage

Uses

Used in Pharmaceutical Industry:
1,7-Dichloroheptane is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and medications. Its role in this industry is crucial for creating the building blocks of life-saving medications.
Used in Agrochemical Industry:
In the agrochemical sector, 1,7-Dichloroheptane is utilized as an intermediate in the production of agrochemicals, which are essential for enhancing crop protection and increasing agricultural productivity.
Used as a Solvent:
1,7-Dichloroheptane is employed as a solvent in various chemical processes due to its ability to dissolve a wide range of substances. Its solvent properties make it a valuable component in numerous industrial applications.
Used in Chemical Synthesis:
1,7-DICHLOROHEPTANE is also used in chemical synthesis, where it serves as a reactant or a catalyst to facilitate the formation of desired products. Its versatility in chemical reactions makes it an indispensable tool in the synthesis of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 821-76-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,2 and 1 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 821-76:
(5*8)+(4*2)+(3*1)+(2*7)+(1*6)=71
71 % 10 = 1
So 821-76-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2

821-76-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,7-Dichloroheptane

1.2 Other means of identification

Product number -
Other names 1,7-DICHLOROHEPTANE

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:821-76-1 SDS

821-76-1Relevant articles and documents

MECHANISMS OF FREE-RADICAL REACTIONS. XXIV. QUANTITATIVE DESCRIPTION OF THE POLAR EFFECTS OF SUBSTITUENTS ON THE KINETICS OF THE FREE-RADICAL CHLORINATION OF ALIPHATIC COMPOUNDS BY N-CHLOROPIPERIDINE

Dneprovskii, A. S.,Mil'tsov, S. A.,Arbuzov, P. V.

, p. 1826 - 1835 (2007/10/02)

The free-radical chlorination of 1-substituted alkanes with electron-withdrawing substituents by N-chloropiperidine in trifluoroacetic acid was studied by the method of competing reactions, and the relative rate constants were obtained for all positions of the substrates.The data on the position selectivity can be described satisfactorily by means of an electrostatic model of the polar effect of the substituent, calculated according to the Kirkwood-Westheimer equation.The obtained characteristics of the electrostatic effect can be successfully applied to calculation of the substrate selectivity and the intermolecular relative rate constants for all the positions, beginning with the third.The Taft equation is unsuitable for description of the effect of substituents on the reaction rate.

MECHANISMS OF FREE-RADICAL REACTIONS. XIX. SELECTIVITY OF THE FREE-RADICAL CHLORINATION OF 1-CHLOROALKANES BY N-CHLOROPIPERIDINE

Dneprovskii, A. S.,Mil'tsov, S. A.

, p. 265 - 269 (2007/10/02)

The free-radical chlorination of 1-chloroalkanes ClH2l+1Cl (l = 4-7) by N-chloropiperidine was studied by the method of competing reactions, and the relative constants for all the positions of the investigated substrates were determined.The chlorination is a highly electrophilic process, and the effect of the substituents is transmitted through at least six C-C bonds.The results can be described satisfactorily by means of an electrostatic model of the polar effect of the substituents according to the Kirkwood-Westheimer equation.At the same time an attempt to describe the obtained data by means of the Taft equation led to unsatisfactory results.

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