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1,3-Dichloropropene

Properties, data and information sources.

 

Contents

1,3-Dichloropropene - here the mixture of isomers - is an organic chemical compound from the group of unsaturated chlorinated hydrocarbons. Due to the C=C double bond in the molecule, two different isomers exist: trans- or (E)-1,3-dichloropropene and cis- or (z)-1,3-dichloropropene.

 

Names and Identifiers

Name
1,3-Dichloropropene
Formula
C3H4Cl2
Molar mass
110.965 (g/mol)
CAS registry number
542-75-6
EC number EINECS
208-826-5
InChI Key
UOORRWUZONOOLO-UHFFFAOYSA-N

Systematic name
1,3-Dichloroprop-1-ene

Other names, synonyms
Chloroallyl Chloride; γ-Chloroallyl chloride; 1,3-Dichloropropylene; α,γ-Dichloropropylene; 1,3-Dichloro-1-propene

Abbreviation
3-D; DCP

Trade names; preparations
Telone; Telone II; Telone II-B; Telone 92; Telone EC; Dorlane II; Di-Trapex CP; Vorlex 201; AQL Agrocelhone; Dorlone; Nematox; Nemex

 

Chemical formulas

Molecular formula and structural formula of 1,3-Dichloropropene:

 

1,3-Dichloropropene

 

C3H4Cl2

Mr = 110.965 g/mol

1,3-Dichloroprop-1-ene
SMILES: ClC=CCCl

 

Data and Properties

Pure 1,3-dichloropropene is a volatile, clear, colorless to straw-yellow liquid with a sweetish, pungent, chloroform-like odor.

solubility:
- Hardly soluble in water (1 g/L at 20 °C).
melting point
-84.5 °C
boiling point
108 °C
flash point
28 °C
density
1.23 g cm-3 at 20 °C
vapor pressure
37 hPa at 20 °C

 

Spectroscopic data:

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
G5nnuIJLwAm
NIST IR-Spektrum
1,3-Dichloropropene
Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0250279

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound 1,3-Dichloropropene - C3H4Cl2 - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
3 Ar = 12.011 u
ΣAr = 36.033 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 32.12819 %
14C: trace
13C: 0.34421 %
32.4724 %H
Hydrogen
4 Ar = 1.008 u
ΣAr = 4.032 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 3.63321 %
2H: 0.00036 %
3.6336 %Cl
Chlorine
2 Ar = 35.45 u
ΣAr = 70.9 u
35Cl: 34.96885 u [75,80 %]
36Cl: 35.96831 u [<< 1 %]
37Cl: 36.9659 u [24,2 %]
 
35Cl: 48.43167 %
36Cl: trace
37Cl: 15.46235 %
63.8940 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 110.965 grams per mole.

The amount of substance in one kilogram of the substance is n = 9.012 mol.

The amount of substance in one gram of the substance is n = 0.009 mol.

Monoisotopic mass: 109.9690055288 Da - related to 12C31H435Cl2.

 

Pestizid

Pesticides and nematicides used in agriculture, as well as soil fumigant.

Status der EU-Zulassung: Siehe EU Pestizid-Datenbank ID 384.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

GHS hazard statements (H phrases):


H226
Flammable liquid and vapour

H301
Toxic if swallowed

H304
May be fatal if swallowed and enters airways

H311
Toxic in contact with skin

H315
Causes skin irritation

H317
May cause an allergic skin reaction

H319
Causes serious eye irritation

H332
Harmful if inhaled

H335
May cause respiratory irritation

H410
Very toxic to aquatic life with long lasting effects

1,3-Dichloropropene forms flammable vapor-air mixtures with an explosive range between 5.7 and 14.5 vol.%.

LD50 (rat, oral): 470 mg/kg.


Labeling in the EU: See ECHA Substance Infocard 100.008.024.

WHO IARC group 2B: Possibly carcinogenic to humans! See there under monograph 41, Sup 7, 71, (1999).

For toxicology and occupational safety when handling 1,3-Dichloropropene as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 038900.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0995.

 

External Sources

PubChem:ID 24883ChemSpider:ID 23264NCI Thesaurus:C44296 (active ingredient description)Other CAS RN:8022-76-2, 68525-58-6 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of 1,3-Dichloropropene as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: 1,3-Dichloropropene.

 


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Last update: 2026-02-01


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