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CAS No.: | 5198-76-5 |
---|---|
Name: | 2-Chloro-4-(chloromethyl)thiazole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H3Cl2NS |
Molecular Weight: | 168.047 |
Synonyms: | Thiazole, 2-chloro-4-(chloromethyl)-; |
EINECS: | 604-604-1 |
Density: | 1.503 g/cm3 |
Boiling Point: | 268.631 °C at 760 mmHg |
Flash Point: | 116.264 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 41.13000 |
LogP: | 2.53530 |
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The 2-Chloro-4-(chloromethyl)thiazole, with the CAS registry number 5198-76-5, is also known as Thiazole, 2-chloro-4-(chloromethyl)-. This chemical's molecular formula is C4H3Cl2NS and molecular weight is 168.04432. Its IUPAC name is called 2-chloro-4-(chloromethyl)-1,3-thiazole. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Chloro-4-(chloromethyl)thiazole: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 115; (7)ACD/KOC (pH 7.4): 115; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 37.389 cm3; (12)Molar Volume: 111.783 cm3; (13)Surface Tension: 48.97 dyne/cm; (14)Density: 1.503 g/cm3; (15)Flash Point: 116.264 °C; (16)Enthalpy of Vaporization: 48.63 kJ/mol; (17)Boiling Point: 268.631 °C at 760 mmHg; (18)Vapour Pressure: 0.013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(S1)Cl)CCl
(2)InChI: InChI=1S/C4H3Cl2NS/c5-1-3-2-8-4(6)7-3/h2H,1H2
(3)InChIKey: HKVYINROOPCUIP-UHFFFAOYSA-N