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| CAS No.: | 59944-65-9 |
|---|---|
| Name: | 4-METHYL-1,2,3-THIADIAZOLE-5-CARBONYL CHLORIDE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C4H3ClN2OS |
| Molecular Weight: | 162.6 |
| Synonyms: | 4-Methyl-1,2,3-thiadiazole-5-carbonylchloride;5-Chlorocarbonyl-4-methyl-1,2,3-thiadiazole; |
| Density: | 1.504g/cm3 |
| Boiling Point: | 239.9 °C at 760 mmHg |
| Flash Point: | 98.9 °C |
| Hazard Symbols: | R34:Causes burns.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 71.09000 |
| LogP: | 1.22550 |
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Specification
The 1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl-, with CAS registry number 59944-65-9, belongs to the following product category: Acidhalide. It has the systematic name of 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride. And the chemical formula of this chemical is C4H3ClN2OS.
Physical properties of 1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl-: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.16; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 112.7; (8)ACD/KOC (pH 7.4): 112.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.09 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 35.88 cm3; (15)Molar Volume: 108 cm3; (16)Polarizability: 14.22×10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 47.68 kJ/mol; (21)Boiling Point: 239.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0391 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: ClC(=O)c1snnc1C
(2)InChI: InChI=1/C4H3ClN2OS/c1-2-3(4(5)8)9-7-6-2/h1H3
(3)InChIKey: SDNDOCTUXWLDIX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H3ClN2OS/c1-2-3(4(5)8)9-7-6-2/h1H3
(5)Std. InChIKey: SDNDOCTUXWLDIX-UHFFFAOYSA-N