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| CAS No.: | 1190-22-3 |
|---|---|
| Name: | 1,3-Dichlorobutane |
| Article Data: | 46 |
| Molecular Structure: | |
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| Formula: | C4H8Cl2 |
| Molecular Weight: | 127.014 |
| Synonyms: | 1,3-DICHLOROBUTANE;1,3-dichloro-butan;Butane,1,3-dichloro-;2-Butene dichloride;1,3-Dichlorobutane,99% |
| EINECS: | 214-718-9 |
| Density: | 1.079 g/cm3 |
| Melting Point: | -70.34°C (estimate) |
| Boiling Point: | 133.999 °C at 760 mmHg |
| Flash Point: | 30.556 °C |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37 |
| Safety: | 16-26-27-33-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.24260 |
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Specification
This chemical is called Butane, 1,3-dichloro-, and its CAS registry number is 1190-22-3. With the molecular formula of C4H8Cl2, its product categories are Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Butane, 1,3-dichloro- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.83; (6)ACD/BCF (pH 7.4): 35.83; (7)ACD/KOC (pH 5.5): 450.93; (8)ACD/KOC (pH 7.4): 450.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 30.23 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 11.98×10-24cm3; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 30.6 °C; (20)Enthalpy of Vaporization: 35.61 kJ/mol; (21)Boiling Point: 134 °C at 760 mmHg; (22)Vapour Pressure: 10.2 mmHg at 25°C.
Production method of this chemical: The Butane, 1,3-dichloro- could be obtained by the reactants of 1-chloro-but-2t-ene and carbon monoxide. This reaction needs the reagent of concd. H2SO4. The yield is 16 %. In addition, this reaction should be taken at the temperature of 50 °C.
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Uses of this chemical: The 2-methyl-thietane could be obtained by the Butane, 1,3-dichloro-. This reaction needs the reagent of (H2N)2CS, alkali, and the solvent of H2O. The yield is 70 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. For it's flammable, keep it away from the sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClCCC(Cl)C
2.InChI: InChI=1/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
3.InChIKey: QBGVARBIQGHVKR-UHFFFAOYAK