CAS No.333-47-1,4-(TRIFLUOROMETHYLTHIO)BROMOBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	333-47-1
Name:	4-(TRIFLUOROMETHYLTHIO)BROMOBENZENE
Article Data:	28

Formula:	C₇H₄BrF₃S
Molecular Weight:	257.074
Synonyms:	Sulfide,p-bromophenyl trifluoromethyl (6CI,7CI,8CI);1-Bromo-4-[(trifluoromethyl)thio]benzene;1-Bromo-4-trifluoromethylsulfanylbenzene;4-(Trifluoromethylthio)bromobenzene;p-Bromophenyl trifluoromethyl sulfide;
EINECS:	-0
Density:	1.717 g/cm³
Boiling Point:	164.907 °C at 760 mmHg
Flash Point:	53.534 °C
Appearance:	Clear colorless to slightly yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	25.30000
LogP:	4.06100

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Specification

The Benzene,1-bromo-4-[(trifluoromethyl)thio]- is an organic compound with the formula C₇H₄BrF₃S. The IUPAC name of this chemical is 1-Bromo-4-(trifluoromethylsulfanyl)benzene. With the CAS registry number 333-47-1, it is also named as 4-Bromophenyl trifluoromethyl sulfide,99%. The product's categories are Organic building blocks; Sulfides/Disulfides; Sulfur compounds. Besides, it is clear colorless to slightly yellow liquid.

Physical properties about Benzene,1-bromo-4-[(trifluoromethyl)thio]- are: (1)ACD/LogP: 4.58; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 25.3 Å²; (4)Index of Refraction: 1.547; (5)Molar Refractivity: 47.47 cm³; (6)Molar Volume: 149.6 cm³; (7)Polarizability: 18.82×10^-24 cm³; (8)Surface Tension: 37.6 dyne/cm; (9)Density: 1.71 g/cm³; (10)Flash Point: 53.5 °C; (11)Enthalpy of Vaporization: 38.49 kJ/mol; (12)Boiling Point: 164.9 °C at 760 mmHg; (13)Vapour Pressure: 2.52 mmHg at 25 °C.

Uses of Benzene,1-bromo-4-[(trifluoromethyl)thio]-: it can be used to produce 4-Trifluoromethyl-4'-trifluoromethylsulfanyl-biphenyl. It will need reagent 20 percent aq. Na₂CO₃; Pd(PPh₃)₄ and solvent Toluene with reaction time of 2 hours. This reaction need heating. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)InChI: InChI=1/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
(2)InChIKey: CQQBVMXLTBXNLB-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C7H4BrF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
(4)Std. InChIKey: CQQBVMXLTBXNLB-UHFFFAOYSA-N