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CAS No.: | 18494-87-6 |
---|---|
Name: | 1-Benzothiophene-3-sulfonyl chloride |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H5ClO2S2 |
Molecular Weight: | 232.711 |
Synonyms: | 1-Benzothiophene-3-sulfonylchloride; |
Density: | 1.554 g/cm3 |
Melting Point: | 86 °C |
Boiling Point: | 369.2 °C at 760 mmHg |
Flash Point: | 177.1 °C |
Solubility: | Sparingly soluble in water (0.091 g/L at 25°C). |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 70.76000 |
LogP: | 3.90960 |
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This chemical is called 1-Benzothiophene-3-sulfonyl chloride, and its CAS registry number is 18494-87-6. With the molecular formula of C8H5ClO2S2, its molecular weight is 232.71. Additionally, its product categories are Sulphonyl Chlorides; Thiophenes & Benzothiophenes; Sulphonyl Chlorides.
Other characteristics of the 1-Benzothiophene-3-sulfonyl chloride can be summarised as followings: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 837.92; (6)ACD/BCF (pH 7.4): 837.92; (7)ACD/KOC (pH 5.5): 4305.56; (8)ACD/KOC (pH 7.4): 4305.56; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.76 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 56.09 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 22.23×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 177.1 °C; (20)Enthalpy of Vaporization: 59.17 kJ/mol; (21)Boiling Point: 369.2 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. 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: ClS(=O)(=O)c1c2ccccc2sc1
2.InChI: InChI=1/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
3.InChIKey: WYYRQMZTUXFUTC-UHFFFAOYAR