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Name |
2(3H)-Thiazolone,4-(4-bromophenyl)- |
EINECS | N/A |
CAS No. | 3884-34-2 | Density | 1.68g/cm3 |
PSA | 61.36000 | LogP | 3.27820 |
Solubility | N/A | Melting Point |
248-252°C |
Formula | C9H6BrNOS | Boiling Point | N/A |
Molecular Weight | 256.123 | Flash Point | N/A |
Transport Information | UN 2811 | Appearance | N/A |
Safety | 26-39 | Risk Codes | 22-37/38-41 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-Thiazolin-2-one, 4-(p-bromophenyl)- (6CI);2-Thiazolol,4-(p-bromophenyl)- (7CI,8CI); |
Article Data | 5 |
This chemical is called 2(3H)-Thiazolone,4-(4-bromophenyl)-, and its IUPAC name is 4-(4-bromophenyl)-3H-1,3-thiazol-2-one. With the molecular formula of C9H6BrNOS, its molecular weight is 256.12. The CAS registry number of this chemical is 3884-34-2.
Other characteristics of the 2(3H)-Thiazolone,4-(4-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 218.69; (6)ACD/BCF (pH 7.4): 203.86; (7)ACD/KOC (pH 5.5): 1645.67; (8)ACD/KOC (pH 7.4): 1534.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.61 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 57.2 cm3; (15)Molar Volume: 152.3 cm3; (16)Polarizability: 22.67×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.68 g/cm3.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed and it's irritating to respiratory system and skin. It also has risk of serious damage to the eyes. Wear eye / face protection if you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2S\C=C(\c1ccc(Br)cc1)N2
2.InChI: InChI=1/C9H6BrNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
3.InChIKey: DEOWCFMGCQNWDK-UHFFFAOYAT