4-(Bromomethyl)-1,3-thiazole supplier

Name
4-(BROMOMETHYL)-1,3-THIAZOLE
EINECS
CAS No. 52829-53-5
Article Data1
CAS DataBase
Density 1.752 g/cm³
Solubility
Melting Point
Formula C₄H₄BrNS
Boiling Point 228.605 °C at 760 mmHg
Molecular Weight 178.05
Flash Point 92.057 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Bromomethyl)thiazole;
PSA 41.13000
LogP 2.03800

4-(Bromomethyl)-1,3-thiazole Specification

The Thiazole,4-(bromomethyl)-, with CAS registry number 52829-53-5, is also named as 4-(Bromomethyl)thiazole. Its systematic name is 4-(bromomethyl)-1,3-thiazole and its molecular formula is C₄H₄BrNS. Besides, it belongs to the product categories Methyl Halides; Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles; Methyl Halides; Thiazoles, Isothiazoles & Benzothiazoles.

Physical properties of Thiazole,4-(bromomethyl)- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 35.377 cm³; (15)Molar Volume: 101.629 cm³; (16)Polarizability: 14.024×10^-24cm³; (17)Surface Tension: 52.476 dyne/cm; (18)Density: 1.752 g/cm³; (19)Flash Point: 92.057 °C; (20)Enthalpy of Vaporization: 44.629 kJ/mol; (21)Boiling Point: 228.605 °C at 760 mmHg; (22)Vapour Pressure: 0.11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ncsc1
(2)InChI: InChI=1/C4H4BrNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
(3)InChIKey: ZEQYITAZUKBNKO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H4BrNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
(5)Std. InChIKey: ZEQYITAZUKBNKO-UHFFFAOYSA-N

Product Name

4-(BROMOMETHYL)-1,3-THIAZOLE

4-(Bromomethyl)-1,3-thiazole Specification

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