(E)-1,3-Dichloropropene

Properties, data and information sources.

Contents

(E)-1,3-Dichloropropene is an organic chemical compound from the group of unsaturated chlorinated hydrocarbons. It is the trans isomer of 1,3-dichloropropene.

Names and Identifiers

Name
(E)-1,3-Dichloropropene

Formula
C₃H₄Cl₂

Molar mass
110.965 (g/mol)

CAS registry number
10061-02-6

EC number EINECS
431-460-4

InChI Key
UOORRWUZONOOLO-OWOJBTEDSA-N

Systematic name
(E)-1,3-Dichloroprop-1-ene

Other names, synonyms
trans-1,3-Dichloropropene; (E)-1,3-Dichloro-1-propene; trans-1,3-Dichloro-1-propene; trans-1,3-Dichloroprop-1-ene; trans-3-Chloroallyl chloride

Trade names; preparations
trans-Telone; Telone II; trans-1,3DCP; trans-D

Chemical formulas

Molecular formula and structural formula of (E)-1,3-Dichloropropene:

C₃H₄Cl₂

M_r = 110.965 g/mol

(E)-1,3-Dichloroprop-1-ene
SMILES: C(/C=C/Cl)Cl

Data and Properties

Pure (E)-1,3-dichloropropene is a clear, colorless to amber-colored, volatile liquid with a penetratingly sweet odor.

solubility:
+ water (2,32 g/L at 20 °C).
- Hardly soluble in.
partition coefficient logPOW = 2.03.

melting point
-84 °C

boiling point
112 °C

flash point
37 °C

density
1.224 g cm^-3 at 20 °C

vapor pressure
34 mmHg at 25 °C

refractive index
n_D = 1.4730 at 20 °C

Spectroscopic data:

SPLASH (mass spectra)
splash10-004i-9000000000-355c6cbb69f7195b26e7

MoNA Mass Bank of North America (mass spectrum)
UOORRWUZONOOLO-OWOJBTEDSA-N

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
BahOXeNLjqd

NIST IR-Spektrum
(E)-1,3-Dichloropropene

Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0013592

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 (E)-1,3-Dichloropropene - C₃H₄Cl₂ - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massC
Carbon3 A_r = 12.011 u
ΣA_r = 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
Hydrogen4 A_r = 1.008 u
ΣA_r = 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
Chlorine2 A_r = 35.45 u
ΣA_r = 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.

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.

Signal word: Danger

GHS hazard statements (H phrases):

H226
Flammable liquid and vapour

H301
Toxic if swallowed

H302
Harmful if swallowed

H311
Toxic in contact with skin

H315
Causes skin irritation

H317
May cause an allergic skin reaction

H319
Causes serious eye irritation

H351
Suspected of causing cancer

H400
Very toxic to aquatic life

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.%.

Labeling in the EU: See ECHA Substance Infocard 100.102.976.

External Sources

PubChem:ID 24726ChemSpider:ID 23117Kegg database DBGET:ID C18627UNII of the FDA (USA):Unique Ingredient Identifier 21UG87ODPIEPA CompTox Chemicals Dashboard:DTXSID2042480Other CAS RN:68525-58-6; 8022-76-2 (also used, outdated or deleted registration numbers)

Manufacturers and Sources of Supply

The table below lists producers and suppliers of (E)-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: (E)-1,3-Dichloropropene.

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Last update: 2026-02-01

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