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| CAS No.: | 80466-80-4 |
|---|---|
| Name: | 2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C5H6ClNO2S2 |
| Molecular Weight: | 211.693 |
| Synonyms: | 2,4-Dimethyl-1,3-thiazole-5-sulfonylchloride;2,4-Dimethylthiazole-5-sulfonyl chloride; |
| Density: | 1.498 g/cm3 |
| Boiling Point: | 311.583 °C at 760 mmHg |
| Flash Point: | 142.241 °C |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-29-14 |
| Safety: | 26-36/37/39-8-45-30-23 |
| Transport Information: | 3265 |
| PSA: | 83.65000 |
| LogP: | 2.76820 |
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Specification
This chemical is called 2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride, and it can also be named as 5-thiazolesulfonyl chloride, 2,4-dimethyl-. With the molecular formula of C5H6ClNO2S2, its molecular weight is 211.69. In addition, the CAS registry number of this chemical is 80466-80-4, and its product categories are Sulfonylhalide; Sulphonyl Chlorides; Thiazoles, Isothiazoles & Benzothiazoles; Sulphonyl Chlorides; Thiazoles, Isothiazoles & Benzothiazoles.
Other characteristics of the 2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.99; (5)ACD/KOC (pH 7.4): 10.99; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 83.65 Å2; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 45.587 cm3; (12)Molar Volume: 141.342 cm3; (13)Polarizability: 18.072×10-24cm3; (14)Surface Tension: 51.782 dyne/cm; (15)Density: 1.498 g/cm3; (16)Flash Point: 142.241 °C; (17)Enthalpy of Vaporization: 53.048 kJ/mol; (18)Boiling Point: 311.583 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: The 2,4-Dimethyl-1,3-thiazole-5-sulfonyl chloride is harmful, so you should wear suitable protective clothing, gloves and eye/face protection when you use it. It is corrosive, so keep this chemical far away from fire. In addition, this chemical reacts violently with water. If this chemical contacts with water, it will liberates toxic gas, so you should never add water to this product and keep the container dry. Do not breathe vapour, 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: Cc1c(sc(n1)C)S(=O)(=O)Cl
(2)InChI: InChI=1/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3
(3)InChIKey: GFFJSTHQILQFNQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3
(5)Std. InChIKey: GFFJSTHQILQFNQ-UHFFFAOYSA-N