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| CAS No.: | 53645-99-1 |
|---|---|
| Name: | 5-CHLORO-4-METHYL-1,2,3-THIADIAZOLE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C3H3ClN2S |
| Molecular Weight: | 134.589 |
| Synonyms: | 5-CHLORO-4-METHYL-1,2,3-THIADIAZOLE;1,2,3-Thiadiazole, 5-chloro-4-methyl- |
| Density: | 1.438 g/cm3 |
| Melting Point: | 56-58 °C |
| Boiling Point: | 185.6 °C at 760 mmHg |
| Flash Point: | 66 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 54.02000 |
| LogP: | 1.49990 |
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- Total:11 Page 1 of 1 1
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Specification
The CAS registry number of 1,2,3-Thiadiazole,5-chloro-4-methyl- is 53645-99-1. In addition, the molecular formula is C3H3ClN2S and the molecular weight is 134.59. Its systematic name is 5-chloro-4-methyl-1,2,3-thiadiazole. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,2,3-Thiadiazole,5-chloro-4-methyl- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.86; (6)ACD/BCF (pH 7.4): 14.86; (7)ACD/KOC (pH 5.5): 240.13; (8)ACD/KOC (pH 7.4): 240.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 30.53 cm3; (15)Molar Volume: 93.5 cm3; (16)Polarizability: 12.1 ×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 66 °C; (20)Enthalpy of Vaporization: 40.45 kJ/mol; (21)Boiling Point: 185.6 °C at 760 mmHg; (22)Vapour Pressure: 0.95 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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: Clc1snnc1C
(2)Std. InChI: InChI=1S/C3H3ClN2S/c1-2-3(4)7-6-5-2/h1H3
(3)Std. InChIKey: RRQBJFBRLOWLJR-UHFFFAOYSA-N