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CAS No.: | 3034-22-8 |
---|---|
Name: | 2-Amino-5-bromothiazole |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C3H3BrN2S |
Molecular Weight: | 179.04 |
Synonyms: | 5-Bromo-[d]thiazol-2-amine;5-Bromothiazol-2-amine;Thiazole,2-amino-5-bromo- (7CI,8CI);(5-Bromothiazol-2-yl)amine;5-Bromo-2-aminothiazole; |
EINECS: | 262-699-0 |
Density: | 1.976 g/cm3 |
Melting Point: | 165 °C (dec.)(lit.) |
Boiling Point: | 287.6 °C at 760 mmHg |
Flash Point: | 127.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26-36/37 |
PSA: | 67.15000 |
LogP: | 2.06900 |
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The 2-Thiazolamine,5-bromo-, with the CAS registry number 3034-22-8, is also known as 2-Amino-5-bromothiazole. It belongs to the product categories of Sulphur Derivatives; Halides; Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles; Thiazoles, Isothiazoles & Benzothiazoles. This chemical's molecular formula is C3H3BrN2S and molecular weight is 179.04. What's more, its systematic name and its IUPAC name are the same which is called 5-Bromo-1,3-thiazol-2-amine. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about 2-Thiazolamine,5-bromo-: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.39; (6)ACD/BCF (pH 7.4): 4.42; (7)ACD/KOC (pH 5.5): 100.1; (8)ACD/KOC (pH 7.4): 100.81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 34.65 cm3; (15)Molar Volume: 90.6 cm3; (16)Surface Tension: 68.7 dyne/cm; (17)Density: 1.976 g/cm3; (18)Flash Point: 127.7 °C; (19)Enthalpy of Vaporization: 52.68 kJ/mol; (20)Boiling Point: 287.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00246 mmHg at 25 °C; (22)Melting point: 165 °C.
Uses of 2-Thiazolamine,5-bromo-: it is used to produce other chemicals. For example, it can react with 3-Bromo-2-oxo-propionic acid ethyl ester to get Ethyl 2-bromoimidazo[2,1-b]thiazole-6-carboxylate. The reaction occurs with reagent Ethanol heating for 5 hours. The yield is 62%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and may cause damage to health. Therefore, you should wear suitable protective clothing and gloves. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(nc1)N
(2)InChI: InChI=1/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
(3)InChIKey: ARHCLXWELPFVFQ-UHFFFAOYAC