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Benzenethiol, 4-bromo-2-(trifluoromethoxy)-

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Name

Benzenethiol, 4-bromo-2-(trifluoromethoxy)-

EINECS N/A
CAS No. 175278-15-6 Density 1.721 g/cm3
PSA 48.03000 LogP 3.63640
Solubility N/A Melting Point N/A
Formula C7H4BrF3OS Boiling Point 229.9 °C at 760 mmHg
Molecular Weight 273.07 Flash Point 92.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 175278-15-6 (4-BROMO-2-(TRIFLUOROMETHOXY)THIOPHENOL) Hazard Symbols ToxicT
Synonyms

4-Bromo-2-trifluoromethoxybenzenethiol;

 

Benzenethiol, 4-bromo-2-(trifluoromethoxy)- Specification

This chemical is called Benzenethiol, 4-bromo-2-(trifluoromethoxy)-, and its systematic name is 4-Bromo-2-(trifluoromethoxy)benzenethiol. With the molecular formula of C7H4BrF3OS, its molecular weight is 273.07. The CAS registry number of this chemical is 175278-15-6. Additionally, its product categories are Phenol & Thiophenol & Mercaptan.

Other characteristics of the Benzenethiol, 4-bromo-2-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 423.07; (6)ACD/BCF (pH 7.4): 8.73; (7)ACD/KOC (pH 5.5): 1916.38; (8)ACD/KOC (pH 7.4): 39.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 49.25 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 19.52×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.721 g/cm3; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 44.76 kJ/mol; (21)Boiling Point: 229.9 °C at 760 mmHg; (22)Vapour Pressure: 0.102 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1cc(OC(F)(F)F)c(S)cc1
2.InChI: InChI=1/C7H4BrF3OS/c8-4-1-2-6(13)5(3-4)12-7(9,10)11/h1-3,13H
3.InChIKey: WWZNHDMEBZHFTK-UHFFFAOYAI

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