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CAS No.: | 542-75-6 |
---|---|
Name: | 1,3-Dichloropropene |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C3H4Cl2 |
Molecular Weight: | 110.971 |
Synonyms: | Propene,1,3-dichloro- (8CI);1,3-D;1,3-Dichloro-1-propene;1,3-Dichloro-2-propene;1,3-Dichloropropylene;3-Chloroallyl chloride;3-Chloropropenyl chloride;D-D 92;DD 95;Dorlane II;NSC 6202;Telone;Telone92;Telone II;Telone II-B;a,g-Dichloropropylene;g-Chloroallyl chloride; |
EINECS: | 208-826-5 |
Density: | 1.175 g/cm3 |
Melting Point: | -60 °C |
Boiling Point: | 108.4 °C at 760 mmHg |
Flash Point: | 27.8 °C |
Solubility: | water: <0.01 g/100 mL at 16.5 °C |
Appearance: | clear yellowish to brownish liquid |
Hazard Symbols: | T,N |
Risk Codes: | 10-20/21-25-36/37/38-43-50/53 |
Safety: | 36/37-45-60-61 |
Transport Information: | UN 1992 3/PG 3 |
PSA: | 0.00000 |
LogP: | 1.97770 |
propene
A
2-chloropropene
B
1,2-Dichloropropane
C
E/Z-1,3-Dichloropropene
D
isopropyl chloride
E
propenyl chloride
F
3-chloroprop-1-ene
Conditions | Yield |
---|---|
With aluminum oxide; copper dichloride; dibenzoyl peroxide at 489.9℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide); | A 0.7% B 3.3% C 0.8% D 1.8% E 0.9% F 91.4% |
Conditions | Yield |
---|---|
With phosphorus pentoxide | |
With phosphorus pentaoxide | |
With trichlorophosphate | |
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere; | |
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere; |
Conditions | Yield |
---|---|
With hydrogenchloride at 100℃; |
Conditions | Yield |
---|---|
With chlorine at 510℃; technische Darstellung; | |
With chlorine at 510℃; technische Darstellung; |
Conditions | Yield |
---|---|
With hydrogenchloride; mercury dichloride In acetic acid |
phosphorus pentachloride
acrolein
A
E/Z-1,3-Dichloropropene
B
3,3-dichloropropene
phosphorus pentachloride
acrolein
A
E/Z-1,3-Dichloropropene
B
1,1,3-trichloropropane
C
3,3-dichloropropene
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
Isomerisierung; |
The 1,3-Dichloropropene is an organic compound with the formula C3H4Cl2. The systematic name of this chemical is (1E)-1,3-dichloroprop-1-ene. With the CAS registry number 542-75-6, it is also named as 1,3-Dichloro-1-propene. The product's categories are Pharmaceutical Raw Materials; Nematicides; Pesticides; Pesticides & Metabolites; Alpha sort;D; DAlphabetic; DIA - DICPesticides & Metabolites; API's; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is clear yellowish to brownish liquid, which should be stored in a cool dry and ventilated place. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union.
Physical properties about 1,3-Dichloropropene are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.94; (5)ACD/BCF (pH 7.4): 19.94; (6)ACD/KOC (pH 5.5): 296.5; (7)ACD/KOC (pH 7.4): 296.5; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 25.7 cm3; (11)Molar Volume: 94.4 cm3; (12)Polarizability: 10.18×10-24cm3; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 1.175 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 33.28 kJ/mol; (17)Boiling Point: 108.4 °C at 760 mmHg; (18)Vapour Pressure: 30.4 mmHg at 25°C.
Uses of 1,3-Dichloropropene: it can be used to produce trichloro-(3-chloro-allyl)-silane. It will need reagent trichlorosilane. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Itmay cause sensitisation by skin contact and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H]=CCCl
(2)InChI: InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(3)InChIKey: UOORRWUZONOOLO-OWOJBTEDBJ
(4)Std. InChI: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(5)Std. InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LCLo | inhalation | 400ppm/7H (400ppm) | American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977. | |
mouse | LC50 | inhalation | 4650mg/m3/2H (4650mg/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. | |
mouse | LD50 | oral | 640mg/kg (640mg/kg) | Fundamental and Applied Toxicology. Vol. 8, Pg. 562, 1987. | |
rabbit | LD50 | skin | 504mg/kg (504mg/kg) | Dow Chemical Company Reports. Vol. MSD-405, | |
rat | LCLo | inhalation | 1000ppm/2H (1000ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977. |
rat | LD50 | intraperitoneal | 175mg/kg (175mg/kg) | Toxicologist. Vol. 5, Pg. 2, 1985. | |
rat | LD50 | oral | 470mg/kg (470mg/kg) | Dow Chemical Company Reports. Vol. MSD-405, | |
rat | LD50 | skin | 775mg/kg (775mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C103, 1991. |