CAS No.198649-68-2,2-(Trifluoromethoxy)benzyl bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	198649-68-2
Name:	2-(Trifluoromethoxy)benzyl bromide
Article Data:	4

Formula:	C₈H₆BrF₃O
Molecular Weight:	255.034
Synonyms:	1-Bromomethyl-2-trifluoromethoxybenzene;2-Trifluoromethoxybenzyl bromide;
EINECS:	-0
Density:	1.6 g/cm³
Melting Point:	32oC
Boiling Point:	191.7 °C at 760 mmHg
Flash Point:	86.6 °C
Hazard Symbols:	C
Risk Codes:	34-36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	3.48010

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Specification

The Benzene,1-(bromomethyl)-2-(trifluoromethoxy)-, with CAS registry number 198649-68-2, belongs to the following product categories: Aromatic Halides (substituted). It has the systematic name of 1-(bromomethyl)-2-(trifluoromethoxy)benzene. And the chemical formula of this chemical is C₈H₆BrF₃O.

Physical properties of Benzene,1-(bromomethyl)-2-(trifluoromethoxy)-: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 514.07; (6)ACD/BCF (pH 7.4): 514.07; (7)ACD/KOC (pH 5.5): 3034.94; (8)ACD/KOC (pH 7.4): 3034.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 46.03 cm³; (15)Molar Volume: 159.3 cm³; (16)Polarizability: 18.25×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Enthalpy of Vaporization: 41.04 kJ/mol; (19)Vapour Pressure: 0.704 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(bromomethyl)-2-(trifluoromethoxy)- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: FC(F)(F)Oc1ccccc1CBr
(2)InChI: InChI=1/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
(3)InChIKey: TUNSVUOTVLWNQT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
(5)Std. InChIKey: TUNSVUOTVLWNQT-UHFFFAOYSA-N