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| CAS No.: | 142-28-9 |
|---|---|
| Name: | 1,3-Dichloropropane |
| Molecular Structure: | |
|
|
|
| Formula: | C3H6Cl2 |
| Molecular Weight: | 112.987 |
| Synonyms: | NSC 6204;R 270fa;Trimethylene dichloride; |
| EINECS: | 205-531-3 |
| Density: | 1.188 g/cm3 |
| Melting Point: | -99 ºC |
| Boiling Point: | 120.4 °C at 760 mmHg |
| Flash Point: | 32.2 °C |
| Solubility: | water: 0.8 g/L (20 °C) |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F, Xn, T
|
| Risk Codes: | 11-20-20/22-52/53-36/37/38-23/24/25-36-20/21/22 |
| Safety: | 9-16-29-33-24-61-26-45-36/37-7 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.85410 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; ammonium chloride In water at 60 - 107℃; for 3h; | 97.2% |
| With hydrogenchloride at 80℃; for 48h; | 10% |
| With thionyl chloride |
- 75-19-4
cyclopropane
A
- 7393-45-5
cyclopropyl chloride
B
- 2088-35-9
1,1-dichlorocyclopropane
C
- 142-28-9
1,3-Dichloropropane
D
- 107-05-1
3-chloroprop-1-ene
| Conditions | Yield |
|---|---|
| With chlorine; silicon tetrafluoride at 600℃; Product distribution; Irradiation; | A 83.5% B 4% C n/a D 2.6% |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; triphenylphosphine In acetonitrile Product distribution; Mechanism; | A 16% B 75% |
| With hydrogenchloride at 100℃; | |
| With hydrogenchloride | |
| With tert-butylhypochlorite; triphenylphosphine In chloroform Product distribution; 1.) -70 deg C, 2.) RT, 3.) reflux, 24 h; |
- 75-19-4
cyclopropane
A
- 20395-25-9
1,1,3-trichloropropane
B
- 96-18-4
1,2,3-trichloropropane
C
- 7393-45-5
cyclopropyl chloride
D
- 2088-35-9
1,1-dichlorocyclopropane
E
- 142-28-9
1,3-Dichloropropane
| Conditions | Yield |
|---|---|
| With chlorine In trichlorofluoromethane at 21℃; for 0.0833333h; Product distribution; Mechanism; Irradiation; also 1,3-dichloropropane; var. solvents (also in the gas phase); | A 13% B 8.7% C 11% D 0.4% E 67% |
| Conditions | Yield |
|---|---|
| With phosphorus trichloride In dichloromethane for 2h; Ambient temperature; | A n/a B 48% C 5% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 149 - 154℃; under 540598 - 680345 Torr; |
- 74-98-6
propane
A
- 26198-63-0, 78-87-5
1,2-Dichloropropane
B
- 594-20-7
2,2-dichloropropane
C
- 78-99-9
1,1-dichloropropane
D
- 142-28-9
1,3-Dichloropropane
| Conditions | Yield |
|---|---|
| at 400℃; Product distribution; thermische Chlorierung; | |
| at 400℃; Product distribution; thermische Chlorierung; |
- Total:29 Page 1 of 1 1
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Specification
The IUPAC name of this product is 1,3-dichloropropane. With the CAS registry number 142-28-9, it is also named as Trimethylene dichloride; Propane, 1,3-dichloro-. The product's categories are alpha,omega-bifunctional alkanes; alpha,omega-dichloroalkanes; monofunctional & alpha,omega-bifunctional alkanes; analytical chemistry; standard solution of volatile organic compounds for water & soil analysis; standard solutions (VOC); volatiles / semivolatiles. It is clear colourless liquid with a sweet odor. And it is highly flammable, so keep it away from sources of ignition. In addition, 1,3-Dichloropropane belongs to halogenated aliphatic compounds which are moderately or very reactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. This material is incompatible with strong oxidizing and reducing agents. Also, it is incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.51; (6)ACD/BCF (pH 7.4): 19.51; (7)ACD/KOC (pH 5.5): 291.83; (8)ACD/KOC (pH 7.4): 291.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 25.64 cm3; (13)Molar Volume: 100.8 cm3; (14)Polarizability: 10.16×10-24 cm3; (15)Surface Tension: 26.3 dyne/cm; (16)Enthalpy of Vaporization: 35.18 kJ/mol; (17)Vapour Pressure: 18.3 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Exact Mass: 111.984656; (20)MonoIsotopic Mass: 111.984656; (21)Heavy Atom Count: 5.
Uses of 1,3-Dichloropropane: It can be used for organic synthesis intermediates and solvents. And it is also used as standard materials of solvent, detergent and chromatographic analysis. In addition, it reacts with mercaptoacetic acid to get 3,7-dithia-nonanedioic acid. This reaction needs reagent NaOH and solvent H2O
ethanol by heating. The reaction time is 16 hours. The yield is 74 %.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. Furthermore, it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so people should avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES: ClCCCCl;
2. InChI: InChI=1/C3H6Cl2/c4-2-1-3-5/h1-3H2.
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | oral | 3gm/kg (3000mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | American Journal of Hygiene. Vol. 16, Pg. 325, 1932. |
| mouse | LD50 | unreported | 3600mg/kg (3600mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE | Eisei Kagaku. Hygienic Chemistry. Vol. 28, Pg. P31, 1982. |