Basic information
- Name:
Thiazole,2-chloro-5-(chloromethyl)-
- Superlist Name:
- 2-Chloro-5-chloromethylthiazole
- CAS No.:
105827-91-6
- Molecular Structure:
- Formula:
- C4H3Cl2NS
- Molecular Weight:
- 168.04
- Synonyms:
- 2-Chloro-5-(chloromethyl)thiazole;2-Chloro-5-chloromethyl-1,3-thiazole;2-Chloro-5-thiazolylmethyl chloride;5-Chloromethyl-2-chloro-1,3-thiazole;
- Density:
- 1.503 g/cm3
- Melting Point:
- 31 °C
- Boiling Point:
- 268.6 °C at 760 mmHg
- Flash Point:
- 116.3 °C
- Solubility:
- insoluble in water, soluble in dichloromethane, chloroform, carbon tetrachloride and other solvents
- Appearance:
- white to pale yellow crystal or colorless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Standards and Recommendations
Analytical Methods
Specification
The IUPAC name of 2-Chloro-5-chloromethylthiazole is 2-chloro-5-(chloromethyl)-1,3-thiazole. With the CAS registry number 105827-91-6, it is also named as Thiazole, 2-chloro-5-(chloromethyl)-. The product's categories are halometyl; miscellaneous; API; thiazoles. It is white to pale yellow crystal or colorless liquid which is insoluble in water, soluble in dichloromethane, chloroform, carbon tetrachloride and other solvents.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.32; (6)ACD/BCF (pH 7.4): 5.32; (7)ACD/KOC (pH 5.5): 115.18; (8)ACD/KOC (pH 7.4): 115.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 37.38 cm3; (14)Molar Volume: 111.7 cm3; (15)Polarizability: 14.82×10-24 cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Enthalpy of Vaporization: 48.63 kJ/mol; (18)Vapour Pressure: 0.0126 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 166.936325; (21)MonoIsotopic Mass: 166.936325; (22)Topological Polar Surface Area: 41.1; (23)Heavy Atom Count: 8; (24)Complexity: 80.4.
Preparation of 2-Chloro-5-chloromethylthiazole: Adding 2-chloro-3-isothiocyanato-prop-1-ene and chloroform in the reaction flask, and then adding dropwise sulfuryl chloride at an internal temperature of 30 °C. After dropping, the reaction carries on at room temperature 2.5h and then the internal temperature rises to 36 °C, After the reaction, solvent and the remaining sulfuryl chloride are distilled to remove. The residue is dissolved in dichloromethane, and using NaHCO3 solution and water washing respectively, drying, distilling to remove the solvent (under vacuum) to get the products.
Uses of 2-Chloro-5-chloromethylthiazole: It is used as pharmaceutical and agrochemical intermediate. It is also used as intermediate of insecticides Thiamethoxam and Clothianidin.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:ClCc1sc(Cl)nc1
2. InChI:InChI=1/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2
3. InChIKey:VRMUIVKEHJSADG-UHFFFAOYAF
