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4-(Chloromethyl)-2-methyl-1,3-thiazole

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Name

4-(Chloromethyl)-2-methyl-1,3-thiazole

EINECS N/A
CAS No. 39238-07-8 Density 1.271 g/cm3
PSA 41.13000 LogP 2.19030
Solubility N/A Melting Point 160-165 °C
Formula C5H6ClNS Boiling Point 217.5 °C at 760 mmHg
Molecular Weight 147.628 Flash Point 85.3 °C
Transport Information N/A Appearance N/A
Safety 26-27-36/37/39-45-23 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 39238-07-8 (4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

2-Methyl-4-(chloromethyl)thiazole;4-(Chloromethyl)-2-methylthiazole;4-Chloromethyl-2-methyl-1,3-thiazole;

Article Data 40

4-(Chloromethyl)-2-methyl-1,3-thiazole Specification

The IUPAC name of Thiazole,4-(chloromethyl)-2-methyl- is 4-(chloromethyl)-2-methyl-1,3-thiazole. With the CAS registry number 39238-07-8, it is also named as 2-Methyl-4-(chloromethyl)thiazole. The product should be stored in sealed, cool, dry place. In addition, its molecular formula is C5H6ClNS and molecular weight is 147.63.

The other characteristics of Thiazole,4-(chloromethyl)-2-methyl- can be summarized as: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 37.31 cm3; (9)Molar Volume: 116.1 cm3; (10)Polarizability: 14.79×10-24cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.271 g/cm3; (13)Flash Point: 85.3 °C; (14)Melting Point: 160-165 °C; (15)Enthalpy of Vaporization: 43.54 kJ/mol; (16)Boiling Point: 217.5 °C at 760 mmHg; (17)Vapour Pressure: 0.195 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also irritating to eyes and respiratory system. Please do not breathe vapour. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing, gloves and eye/face protection and take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCc1nc(sc1)C
(2)InChI: InChI=1/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
(3)InChIKey: AQBBZYVPKBIILN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
(5)Std. InChIKey: AQBBZYVPKBIILN-UHFFFAOYSA-N

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