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2,3-Dichloropropene

  • Name 2,3-Dichloropropene
  • EINECS201-153-8
  • CAS No. 78-88-6
  • Density1.151 cm3
  • PSA0.00000
  • LogP1.97770
  • Solubility<0.1 g/100 mL at 22 °C in water
  • Melting Point10 °C
  • FormulaC3H4Cl2
  • Boiling Point97.3 °C at 760 mmHg
  • Molecular Weight110.971
  • Flash Point18.7 °C
  • Transport InformationUN 2047 3/PG 2
  • Appearanceclear colorless to pink-brownish liquid
  • Safety9-16-23-26-36/37/39-61
  • Risk Codes11-20/21/22-37/38-41-52/53-68-40
  • Molecular Structure
    Molecular Structure of 78-88-6 (2,3-Dichloropropene)
  • Hazard SymbolsFlammableF, IrritantXi, HarmfulXn
  • SynonymsFlammableF, IrritantXi, HarmfulXn
  • Article Data53

2,3-Dichloropropene Synthetic route

96-18-4

1,2,3-trichloropropane

78-88-6

2,3-Dichloroprop-1-ene

Conditions
ConditionsYield
With sodium hydroxide; cetylpyridinium bromide for 2h; Heating;95%
With sodium hydroxide In water at 65 - 95℃; Reagent/catalyst;94.6%
With sodium hydroxide at 20℃; for 4h;80%
96-18-4

1,2,3-trichloropropane

A

78-88-6

2,3-Dichloroprop-1-ene

B

463-49-0

1,2-propanediene

C

107-05-1

3-chloroprop-1-ene

Conditions
ConditionsYield
In sodium hydroxide at 45℃; for 4h; electrolysis;A n/a
B n/a
C 60%
In sodium hydroxide at 45℃; for 4h; Product distribution; electrolysis; variation of concentration of NaOH;A n/a
B n/a
C 60%
557-98-2

2-chloropropene

78-88-6

2,3-Dichloroprop-1-ene

Conditions
ConditionsYield
With chlorine at 512℃;
With chlorine
With oxygen; chlorine at 0℃; im Dunkeln;
96-18-4

1,2,3-trichloropropane

A

78-88-6

2,3-Dichloroprop-1-ene

B

542-75-6

E/Z-1,3-Dichloropropene

624-65-7

2-propynyl chloride

A

78-88-6

2,3-Dichloroprop-1-ene

B

542-75-6

E/Z-1,3-Dichloropropene

Conditions
ConditionsYield
With hydrogenchloride; mercury dichloride In acetic acid
67-56-1

methanol

96-18-4

1,2,3-trichloropropane

A

78-88-6

2,3-Dichloroprop-1-ene

B

34680-34-7

1,2-Dichlor-3-methoxy-propane

C

10061-01-5

(Z)-1,3-dichloropropene

D

32804-08-3

2-chloro-3-methoxypropene

E

cis-1-chloro-3-methoxypropene

F

10061-02-6

(E)-1,3-dichloro-prop-1-ene

Conditions
ConditionsYield
With aluminium at 250℃; Product distribution; Mechanism; other temp.;
2088-35-9

1,1-dichlorocyclopropane

A

78-88-6

2,3-Dichloroprop-1-ene

B

563-58-6

1,1-dichloropropene

Conditions
ConditionsYield
In gas at 336.9 - 451.9℃; under 10.5 Torr; Kinetics; Product distribution;
7782-50-5

chlorine

107-05-1

3-chloroprop-1-ene

A

78-88-6

2,3-Dichloroprop-1-ene

B

10061-01-5

(Z)-1,3-dichloropropene

C

563-57-5

3,3-dichloropropene

D

10061-02-6

(E)-1,3-dichloro-prop-1-ene

Conditions
ConditionsYield
at 510℃; nach Vorwaermen auf 100grad;
at 510℃; nach Vorwaermen auf 100grad;
557-98-2

2-chloropropene

7782-50-5

chlorine

78-88-6

2,3-Dichloroprop-1-ene

Conditions
ConditionsYield
at 0℃; im Dunkeln;
CH3CCl2CH2Cl

CH3CCl2CH2Cl

78-88-6

2,3-Dichloroprop-1-ene

Conditions
ConditionsYield
With water

2,3-Dichloropropene Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

2,3-Dichloropropene Specification

The 2,3-Dichloropropene is an organic compound with the formula C3H4Cl2. The IUPAC name of this chemical is 2,3-dichloroprop-1-ene. With the CAS registry number 78-88-6, it is also named as 1-propene, 2,3-dichloro-. The product's categories are Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is a clear colorless to pink-brownish liquid, which should be stored in a cool dry and well-ventilated area which be away from incompatible substances. It used as a dwarf-like pigment intermediates.

Physical properties about 2,3-Dichloropropene are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 26.96; (5)ACD/BCF (pH 7.4): 26.96; (6)ACD/KOC (pH 5.5): 367.85; (7)ACD/KOC (pH 7.4): 367.85; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.439; (10)Molar Refractivity: 25.21 cm3; (11)Molar Volume: 95.7 cm3; (12)Polarizability: 9.99×10-24cm3; (13)Surface Tension: 24.7 dyne/cm; (14)Density: 1.159 g/cm3; (15)Flash Point: 18.7 °C; (16)Enthalpy of Vaporization: 32.29 kJ/mol; (17)Boiling Point: 97.3 °C at 760 mmHg; (18)Vapour Pressure: 48 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,3-trichloro-propane. This reaction will need reagent potash.



Uses of 2,3-Dichloropropene: it can be used to produce 1-(2-chloro-allyl)-piperidine by heating. It will need reagent K2CO3, KI and solvent acetonitrile with reaction time of 6 hours. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. You should keep container in a well-ventilated place, keep away from sources of ignition - No smoking, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to respiratory system and skin. It limited evidence of a carcinogenic effect and risk of serious damage to eyes. When you are using it, wear suitable gloves and eye/face protection. Avoid release to the environment. Refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(=C)CCl
(2)InChI: InChI=1/C3H4Cl2/c1-3(5)2-4/h1-2H2
(3)InChIKey: FALCMQXTWHPRIH-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
(5)Std. InChIKey: FALCMQXTWHPRIH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 3100mg/m3/2H (3100mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 48, 1982.
rabbit LD50 skin 1580uL/kg (1.58mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 500ppm/4H (500ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 320mg/kg (320mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

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