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| CAS No.: | 16629-19-9 |
|---|---|
| Name: | 2-Thiophenesulfonyl chloride |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C4H3ClO2S2 |
| Molecular Weight: | 182.652 |
| Synonyms: | 2-(Chlorosulfonyl)thiophene;2-Thienylsulfonyl chloride; |
| EINECS: | 240-677-1 |
| Density: | 1.58 g/cm3 |
| Melting Point: | 30-32 °C(lit.) |
| Boiling Point: | 265.2 °C at 760 mmHg |
| Flash Point: | 114.2 °C |
| Solubility: | Reacts with water. |
| Appearance: | colorless to brown low melting solid or liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-28A-25-27 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 70.76000 |
| LogP: | 2.75640 |
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Specification
The 2-Thiophenesulfonyl chloride is an organic compound with the formula C4H3ClO2S2. The IUPAC name of this chemical is thiophene-2-sulfonyl chloride. With the CAS registry number 16629-19-9, it is also named as 2-Thiophenesulfonyl chloride. The product's categories are Sulphonyl Chlorides; Thiophenes & Benzothiophenes; Thiophene & Benzothiophene; Thiophene intermediates; Building Blocks; Heterocyclic Building Blocks; Thiophenes. Besides, it is a colorless to brown low melting solid or liquid, which should be stored in a closed and dark place.
Physical properties about 2-Thiophenesulfonyl chloride are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.85; (5)ACD/BCF (pH 7.4): 10.85; (6)ACD/KOC (pH 5.5): 191.82; (7)ACD/KOC (pH 7.4): 191.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 70.76 Å2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 38.54 cm3; (13)Molar Volume: 115.5 cm3; (14)Polarizability: 15.27×10-24cm3; (15)Surface Tension: 49.8 dyne/cm; (16)Density: 1.58 g/cm3; (17)Flash Point: 114.2 °C; (18)Enthalpy of Vaporization: 48.28 kJ/mol; (19)Boiling Point: 265.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0152 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene. This reaction will need reagent chlorosulfuric acid.
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Uses of 2-Thiophenesulfonyl chloride: it can be used to produce thiophene-2-sulfinic acid. It will need reagent aqueous sodium sulfite solution.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection and avoid contact with eyes. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1sccc1
(2)InChI: InChI=1/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H
(3)InChIKey: VNNLHYZDXIBHKZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H
(5)Std. InChIKey: VNNLHYZDXIBHKZ-UHFFFAOYSA-N