2(3H)-Thiazolone,4-(4-bromophenyl)- supplier

Name
4-(4-BROMOPHENYL)-2-HYDROXY-THIAZOLE
EINECS
CAS No. 3884-34-2
Article Data5
CAS DataBase
Density 1.68g/cm³
Solubility
Melting Point 248-252°C
Formula C₉H₆BrNOS
Boiling Point
Molecular Weight 256.123
Flash Point
Transport Information UN 2811
Appearance
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);
PSA 61.36000
LogP 3.27820

2(3H)-Thiazolone,4-(4-bromophenyl)- Specification

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

Product Name

4-(4-BROMOPHENYL)-2-HYDROXY-THIAZOLE

2(3H)-Thiazolone,4-(4-bromophenyl)- Specification

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