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96-19-5

Basic Information
CAS No.: 96-19-5
Name: 1,2,3-Trichloropropene
Article Data: 20
Molecular Structure:
Molecular Structure of 96-19-5 (1,2,3-Trichloropropene)
Formula: C3H3 Cl3
Molecular Weight: 145.416
Synonyms: Propene,1,2,3-trichloro- (6CI,7CI,8CI); 1,2,3-Trichloro-1-propene;1,2,3-Trichloropropene; 2,3-Dichloroallyl chloride; NSC 164001
Density: 1.376g/cm3
Melting Point: -30°C (estimate)
Boiling Point: 142°Cat760mmHg
Flash Point: 65.5°C
Risk Codes: 20/21/22-36/37/38
Safety: Moderately toxic by ingestion, inhalation, and skin contact. Mutation data reported. An eye and severe skin irritant. Combustible when exposed to heat, flames (sparks) or powerful oxidizers. To fight fire, use water (as a blanket), spray, mist, dry chemical. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
PSA: 0.00000
LogP: 2.54420
Synthetic route
13116-53-5

1,2,2,3-tetrachloropropane

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
With triethylbenzylammonium ethanolate In ethyl acetate97.7%
With sodium hydroxide
chromium(III) oxide at 350℃; for 2h;
With caustic feed at 93.5 - 120℃;
78-88-6

2,3-Dichloroprop-1-ene

A

96-19-5

1,2,3-trichloropropene

B

13116-53-5

1,2,2,3-tetrachloropropane

C

16714-68-4

1,1,2,2,3-pentachloropropane

D

hexachloropropane, hexachlorohexanes, pentachlorohexenes, substituted cyclobutanes C6H8Cl4

hexachloropropane, hexachlorohexanes, pentachlorohexenes, substituted cyclobutanes C6H8Cl4

Conditions
ConditionsYield
With chlorine at 25℃; Product distribution; addition of FeCl3, addition of hydroquinone, periodic or continuous chlorina ion;A 2%
B 94%
C 4%
D n/a
42268-11-1

2-bromo-1,2,3-trichloro-propane

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
With sodium hydroxide
With octanol; sodium octanolate
78-88-6

2,3-Dichloroprop-1-ene

A

96-19-5

1,2,3-trichloropropene

B

13116-53-5

1,2,2,3-tetrachloropropane

Conditions
ConditionsYield
With chlorine; phenol at 20℃; Rate constant; Product distribution; other radical reaction inhibitors, such as o-chlorophenol, ionol; other temp.;
With aluminium trichloride; chlorine In various solvent(s) at 24.85℃; Kinetics; Further Variations:; Temperatures; Reagents;
With chlorine In various solvent(s) at -0.15℃;
With 2,2'-azobis(isobutyronitrile); chlorine In various solvent(s) at 24.85℃;
18495-30-2

1,1,2,3-tetrachloropropane

A

96-19-5

1,2,3-trichloropropene

B

2567-14-8

3,3-dichloroallyl chloride

Conditions
ConditionsYield
With sodium hydroxide; cetylpyridinium bromide at 130℃; for 2h; Title compound not separated from byproducts;

2,3,3,4-tetrachloro-butyric acid

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
Destillieren; das Natriumsalz reagiert;
CH2ClCCl2CH2Cl

CH2ClCCl2CH2Cl

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
With potassium carbonate
13116-53-5

1,2,2,3-tetrachloropropane

ethanolic KOH-solution

ethanolic KOH-solution

96-19-5

1,2,3-trichloropropene

sodium salt of/the/ 2.3.3.4-tetrachloro-butyric acid

sodium salt of/the/ 2.3.3.4-tetrachloro-butyric acid

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
With water beim Destillieren;
3175-26-6

1,1,2,3-tetrachloro-2-fluoropropane

96-19-5

1,2,3-trichloropropene

Conditions
ConditionsYield
FeCl3/C at 200℃;
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Chemistry

IUPAC Name: (Z)-1,2,3-Trichloroprop-1-ene
Synonyms: 1,2,3-Trichlor-1-propene ; 1,2,3-Trichloro-1-propene ; 1,2,3-Trichloropropene
CAS NO:96-19-5
Molecular Formula of 1,2,3-Trichloropropene (CAS NO.96-19-5) :C3H3Cl3
Molecular Weight of 1,2,3-Trichloropropene (CAS NO.96-19-5) : 145.41
Molecular Structure of 1,2,3-Trichloropropene (CAS NO.96-19-5):
EINECS: 202-487-7
Index of Refraction: 1.487
Surface Tension: 31.4 dyne/cm
Density: 1.376 g/cm3
Flash Point: 65.5 °C
Enthalpy of Vaporization: 36.35 kJ/mol
Boiling Point: 142 °C at 760 mmHg
Vapour Pressure: 7.14 mmHg at 25°C
Appearance:An amber liquid
Solubility:Soluble in carbon tetrachloride and chloroform, insoluble in water

Uses

 1,2,3-Trichloropropene (CAS NO.96-19-5) is used as the intermediate of diallate herbicide.

Production

Raw materials: Dichloroethane 
Adding Tetrachloro-propane and Ethanol into the reactor,stirring ,heated to reflux, adding Potassium hydroxide in batches within 1 h, After finishing,reflux 2 h, cooling, filtration, the filtration washed two times, the water layer with dichloroethane extraction, combined with the reservoir, desolventizing, vacuum distillation, collecting at 74 ~ 91 °C / 13.3 kPa,then obtaining 1,2,3-Trichloropropene (CAS NO.96-19-5) .
ClCH2Cl2CH2Cl + KOH → ClCH2ClC = CHCl + KCl + H2O

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 640uL/kg (0.64mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 500ppm/4H (500ppm)   Union Carbide Data Sheet. Vol. 5/4/1960,
rat LD50 oral 616mg/kg (616mg/kg)   Union Carbide Data Sheet. Vol. 5/4/1960,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion, inhalation, and skin contact. Mutation data reported. An eye and severe skin irritant. Combustible when exposed to heat, flames (sparks) or powerful oxidizers. To fight fire, use water (as a blanket), spray, mist, dry chemical. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Risk Statements 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR 2810
RTECS UD2450000
HazardClass 6.1(b)
PackingGroup III

Specification

1.General Description :May be absorbed through the skin. Vapors are heavier than air. Contact with vapors or liquid may cause burns or irritation.
2.Air & Water Reactions :Flammable.
3.Reactivity Profile: 1,2,3-Trichloropropene incompatible with strong oxidizing and reducing agents. Incompatible with many amines, nitrides, azo/diazo compounds, with alkali metals, and with epoxides. Reacts with bases. Produces toxic fumes when heated to decomposition. Avoid contact with iron, plastics, and aluminum.
4.Health Hazard TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
5.Fire Hazard :Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.