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| CAS No.: | 53595-66-7 |
|---|---|
| Name: | 5-Chlorothiophene-2-sulfonamide |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C4H4ClNO2S2 |
| Molecular Weight: | 197.666 |
| Synonyms: | 5-Chloro-2-thiophenesulfonamide; |
| Density: | 1.649 g/cm3 |
| Melting Point: | 113-117 °C(lit.) |
| Boiling Point: | 366.3 °C at 760 mmHg |
| Flash Point: | 175.3 °C |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-45-37/39 |
| PSA: | 96.78000 |
| LogP: | 2.83000 |
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Specification
The 5-Chlorothiophene-2-sulfonamide is an organic compound with the formula C4H4ClNO2S2. The IUPAC name of this chemical is 5-chlorothiophene-2-sulfonamide. With the CAS registry number 53595-66-7, it is also named as 2-Thiophenesulfonamide, 5-chloro-. The product's categories are Sulfonamide; Thiophene & Benzothiophene; Thiophene intermediates; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about 5-Chlorothiophene-2-sulfonamide are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.49; (5)ACD/BCF (pH 7.4): 3.48; (6)ACD/KOC (pH 5.5): 85.16; (7)ACD/KOC (pH 7.4): 84.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74 Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 42.15 cm3; (14)Molar Volume: 119.8 cm3; (15)Polarizability: 16.71×10-24cm3; (16)Surface Tension: 61.1 dyne/cm; (17)Density: 1.649 g/cm3; (18)Flash Point: 175.3 °C; (19)Enthalpy of Vaporization: 61.27 kJ/mol; (20)Boiling Point: 366.3 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-chloro-thiophene-2-sulfonic acid cyclohexylideneamide. This reaction will need reagent ethanol and H2O. The yield is about 68%.
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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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc(Cl)cc1)N
(2)InChI: InChI=1/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
(3)InChIKey: RKLQLYBJAZBSEU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
(5)Std. InChIKey: RKLQLYBJAZBSEU-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Annales Pharmaceutiques Francaises. Vol. 19, Pg. 449, 1961. |