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

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Name

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

EINECS N/A
CAS No. 77470-53-2 Density N/A
PSA 41.13000 LogP 2.99230
Solubility N/A 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 N/A Appearance light-yellow oil
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 77470-53-2 (4-CHLOROMETHYL-2-METHYLTHIAZOLE HYDROCHLORIDE) Hazard Symbols CorrosiveC
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;

Article Data 5

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

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