Thiazole,4-[4-(bromomethyl)phenyl]-2-methyl- supplier

Name
4-[4-(BROMOMETHYL)PHENYL]-2-METHYL-1,3-THIAZOLE
EINECS
CAS No. 857283-95-5
Density 1.463 g/cm³
Solubility
Melting Point 73 °C
Formula C₁₁H₁₀BrNS
Boiling Point 366.8 °C at 760 mmHg
Molecular Weight 268.177
Flash Point 175.6 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[4-(Bromomethyl)phenyl]-2-methyl-1,3-thiazole, tech;4-[4-(Bromomethyl)phenyl]-2-methyl-1,3-thiazole;
PSA 41.13000
LogP 4.01340

Thiazole,4-[4-(bromomethyl)phenyl]-2-methyl- Specification

The systematic name of Thiazole,4-[4-(bromomethyl)phenyl]-2-methyl- is 4-[4-(bromomethyl)phenyl]-2-methyl-1,3-thiazole. With the CAS registry number 857283-95-5, it is also named as 4-[4-(Bromomethyl)phenyl]-2-methyl-1,3-thiazole, tech. In addition, its molecular formula is C₁₁H₁₀BrNS and its molecular weight is 268.17.

The other characteristics of Thiazole,4-[4-(bromomethyl)phenyl]-2-methyl- can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.13 Å²; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 64.79 cm³; (9)Molar Volume: 183.1 cm³; (10)Polarizability: 25.68×10^-24cm³; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.463 g/cm³; (13)Flash Point: 175.6 °C; (14)Melting Point: 73 °C; (15)Enthalpy of Vaporization: 58.91 kJ/mol; (16)Boiling Point: 366.8 °C at 760 mmHg; (17)Vapour Pressure: 3.02E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrCc2ccc(c1nc(sc1)C)cc2
(2)InChI: InChI=1/C11H10BrNS/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6H2,1H3
(3)InChIKey: FYODTWHDVIEQKA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H10BrNS/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6H2,1H3
(5)Std. InChIKey: FYODTWHDVIEQKA-UHFFFAOYSA-N

Product Name

4-[4-(BROMOMETHYL)PHENYL]-2-METHYL-1,3-THIAZOLE

Thiazole,4-[4-(bromomethyl)phenyl]-2-methyl- Specification

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