Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)- supplier

Name
2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE
EINECS
CAS No. 76437-40-6
Article Data2
CAS DataBase
Density 1.837 g/cm³
Solubility
Melting Point
Formula C₈H₂BrF₇
Boiling Point 190 °C at 760 mmHg
Molecular Weight 310.997
Flash Point 68.7 °C
Transport Information UN 3265 8/PG 2
Appearance clear, colorless liquid
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C；Xi
Synonyms 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-trifluoromethylbenzene;2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide;4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide;1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene;Benzene, 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-;2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide;4-(Bromomethyl)-2,3,5,6-tetrafluoro-benzotrifluoride;4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide;4-(Trifluoromethyl)tetrafluorobenzyl bromide;TTBB;
PSA 0.00000
LogP 4.15670

Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)- Specification

The Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, with the CAS registry number 76437-40-6, has the systematic name and IUPAC name of 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene. And the molecular formula of the chemical is C₈H₂BrF₇.

The characteristics of Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.12; (6)ACD/BCF (pH 7.4): 249.12; (7)ACD/KOC (pH 5.5): 1806.98; (8)ACD/KOC (pH 7.4): 1806.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 43.85 cm³; (15)Molar Volume: 169.2 cm³; (16)Polarizability: 17.38×10^-24cm³; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 1.837 g/cm³; (19)Flash Point: 68.7 °C; (20)Enthalpy of Vaporization: 40.87 kJ/mol; (21)Boiling Point: 190 °C at 760 mmHg; (22)Vapour Pressure: 0.768 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(c1F)CBr)C(F)(F)F
(2)InChI: InChI=1/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2
(3)InChIKey: WKPYRDRWTNJBQI-UHFFFAOYAD

Product Name

2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE

Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)- Specification

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