CAS No.39238-07-8,4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39238-07-8
Name:	4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE
Article Data:	40

Formula:	C₅H₆ClNS
Molecular Weight:	147.628
Synonyms:	2-Methyl-4-(chloromethyl)thiazole;4-(Chloromethyl)-2-methylthiazole;4-Chloromethyl-2-methyl-1,3-thiazole;
Density:	1.271 g/cm³
Melting Point:	160-165 °C
Boiling Point:	217.5 °C at 760 mmHg
Flash Point:	85.3 °C
Hazard Symbols:	Xi,C
Risk Codes:	34-36/37
Safety:	26-27-36/37/39-45-23
PSA:	41.13000
LogP:	2.19030

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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