CAS No.77470-53-2,4-CHLOROMETHYL-2-METHYLTHIAZOLE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77470-53-2
Name:	4-CHLOROMETHYL-2-METHYLTHIAZOLE HYDROCHLORIDE
Article Data:	5

Formula:	C₅H₇Cl₂NS
Molecular Weight:	184.089
Synonyms:	Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (6CI,9CI);2-Methyl-4-(chloromethyl)thiazole hydrochloride;4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride;4-(Chloromethyl)-2-methylthiazole hydrochloride;
Melting Point:	161-163 °C
Boiling Point:	217.5 °C at 760 mmHg
Flash Point:	85.3 °C
Appearance:	light-yellow oil
Hazard Symbols:	C
Risk Codes:	34
Safety:	45-36/37/39-26
PSA:	41.13000
LogP:	2.99230

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Specification

The Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (1:1), with the CAS registry number 77470-53-2, is also known as 4-Chloromethyl-2-methylthiazole hydrochloride. It belongs to the product categories of Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C₅H₇Cl₂NS and molecular weight is 184.09. What's more, its systematic name is called 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride. It is light-yellow oil.

Physical properties about Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.47; (6)ACD/BCF (pH 7.4): 6.48; (7)ACD/KOC (pH 5.5): 132.37; (8)ACD/KOC (pH 7.4): 132.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Flash Point: 85.3 °C; (14)Enthalpy of Vaporization: 43.54 kJ/mol; (15)Boiling Point: 217.5 °C at 760 mmHg; (16)Vapour Pressure: 0.195 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.ClCc1nc(sc1)C
(2) InChI: InChI=1/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H
(3) InChIKey: YGKDISJLDVGNOR-UHFFFAOYAE