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3-(Trifluoromethyl)benzyl bromide

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Name

3-(Trifluoromethyl)benzyl bromide

EINECS 206-938-9
CAS No. 402-23-3 Density 1.568 g/cm3
PSA 0.00000 LogP 3.60030
Solubility insoluble in water Melting Point N/A
Formula C8H6BrF3 Boiling Point 213.3 °C at 760 mmHg
Molecular Weight 239.035 Flash Point 87°C
Transport Information UN 3265 8/PG 2 Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45-25 Risk Codes 34
Molecular Structure Molecular Structure of 402-23-3 (3-(Trifluoromethyl)benzyl bromide) Hazard Symbols CorrosiveCIrritantXi
Synonyms

m-Xylene,a'-bromo-a,a,a-trifluoro- (6CI,7CI,8CI);1-(Bromomethyl)-3-(trifluoromethyl)benzene;3-(Bromomethyl)-1-(trifluoromethyl)benzene;3-(Bromomethyl)benzotrifluoride;

Article Data 13

3-(Trifluoromethyl)benzyl bromide Chemical Properties

 IUPAC Name: 1-(Bromomethyl)-3-(trifluoromethyl)benzene
Synonyms of 3-(Trifluoromethyl)benzyl bromide (CAS NO.402-23-3): 1-(Bromomethyl)-3-(trifluoromethyl)benzene
CAS NO: 402-23-3
Molecular Formula: C8H6BrF3
Molecular Weight: 239.03
Molecular Structure:
EINECS: 206-938-9
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 0 Å2
Index of Refraction: 1.487
Molar Refractivity: 43.88 cm3
Molar Volume: 152.4 cm3
Surface Tension: 28.8 dyne/cm
Density: 1.568 g/cm3
Flash Point: 87.8 °C
Enthalpy of Vaporization: 43.13 kJ/mol
Boiling Point: 213.3 °C at 760 mmHg
Vapour Pressure: 0.241 mmHg at 25°C 
Sensitive: Lachrymatory
Appearance: Colorless to light yellow liquid 
SMILES: BrCc1cccc(c1)C(F)(F)F
InChI: InChI=1/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey: MYYYZNVAUZVXBO-UHFFFAOYAI
Std. InChI: InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
Std. InChIKey: MYYYZNVAUZVXBO-UHFFFAOYSA-N
Product Categories of 3-(Trifluoromethyl)benzyl bromide (CAS NO.402-23-3): Fluoro-contained benzyl bromide series;Aromatic Halides (substituted);Miscellaneous;Benzenes

3-(Trifluoromethyl)benzyl bromide Safety Profile

Safety Information about 3-(Trifluoromethyl)benzyl bromide (CAS NO.402-23-3):
Hazard Codes: CorrosiveCIrritantXi
Risk Statements: 34
R34: Causes burns.
Safety Statements: 26-36/37/39-45-25
S25: Avoid contact with eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45:I n case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III

3-(Trifluoromethyl)benzyl bromide Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Combustible liquid.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Corrosives area.

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