Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (1:1) supplier

Name
4-CHLOROMETHYL-2-METHYLTHIAZOLE HYDROCHLORIDE
EINECS
CAS No. 77470-53-2
Article Data5
CAS DataBase
Density
Solubility
Melting Point 161-163 °C
Formula C₅H₇Cl₂NS
Boiling Point 217.5 °C at 760 mmHg
Molecular Weight 184.089
Flash Point 85.3 °C
Transport Information
Appearance light-yellow oil
Safety 45-36/37/39-26
Risk Codes 34
Molecular Structure
Hazard Symbols C
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;
PSA 41.13000
LogP 2.99230

Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (1:1) 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

Product Name

4-CHLOROMETHYL-2-METHYLTHIAZOLE HYDROCHLORIDE

Thiazole,4-(chloromethyl)-2-methyl-, hydrochloride (1:1) Specification

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