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| CAS No.: | 17249-77-3 |
|---|---|
| Name: | 2,3,5-TRICHLOROTHIOPHENE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4HCl3S |
| Molecular Weight: | 187.477 |
| Synonyms: | 2,3,5-Trichlorothiophene;LABOTEST-BB LT00848002;2,3,5-Trichlorothiophene ,97%; |
| EINECS: | -0 |
| Density: | 1.633 g/cm3 |
| Melting Point: | -16 °C |
| Boiling Point: | 200.5 °C at 760 mmHg |
| Flash Point: | 95.6 °C |
| Hazard Symbols: | R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; |
| Risk Codes: | 23/24/25 |
| Safety: | 23-36/37-45 |
| Transport Information: | 2810 |
| PSA: | 28.24000 |
| LogP: | 3.70830 |
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Specification
The CAS register number of Thiophene, 2,3,5-trichloro- is 17249-77-3. The systematic name about this chemical is 2,3,5-trichlorothiophene. The molecular formula about this chemical is C4HCl3S and the molecular weight is 187.47. It belongs to the following product category which includes Thiophens.
Physical properties about Thiophene, 2,3,5-trichloro- are: (1)ACD/LogP: 3.74; (2)ACD/LogD (pH 5.5): 3.74; (3)ACD/LogD (pH 7.4): 3.74; (4)ACD/BCF (pH 5.5): 408.31; (5)ACD/BCF (pH 7.4): 408.31; (6)ACD/KOC (pH 5.5): 2573.67; (7)ACD/KOC (pH 7.4): 2573.67; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.601; (10)Molar Refractivity: 39.32 cm3; (11)Molar Volume: 114.7 cm3; (12)Polarizability: 15.58x10-24cm3; (13)Surface Tension: 45.4 dyne/cm; (14)Density: 1.633 g/cm3; (15)Flash Point: 95.6 °C; (16)Enthalpy of Vaporization: 41.89 kJ/mol; (17)Boiling Point: 200.5 °C at 760 mmHg; (18)Vapour Pressure: 0.457 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2,5-dichloro-thiophene. This reaction will need reagents of thionyl chloride, sulfuryl chloride, aluminium chloride. The reaction time is 4 hours with room temperature. The yield is about 52%.
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Uses of Thiophene, 2,3,5-trichloro-: it can be used to produce 3-bromo-2,4,5-trichlorothiophene. This reaction is a kind of bromination. This reaction will need reagent of Br2 and solvent of acetic acid. The reaction time is 4 days with reaction temperature of 60 °C. The yield is about 54%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. If you want to use this chemical, wear suitable protective clothing and gloves. And when you are using it, do not breathe vapour. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(Cl)c(Cl)c1
(2)InChI: InChI=1/C4HCl3S/c5-2-1-3(6)8-4(2)7/h1H
(3)InChIKey: AZIFHMYTYFPVMV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4HCl3S/c5-2-1-3(6)8-4(2)7/h1H
(5)Std. InChIKey: AZIFHMYTYFPVMV-UHFFFAOYSA-N