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Basic Information
| CAS No.: | 395-44-8 |
|---|---|
| Name: | 2-(Trifluoromethyl)benzyl bromide |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6BrF3 |
| Molecular Weight: | 239.035 |
| Synonyms: | o-Xylene, a'-bromo-a,a,a-trifluoro- (6CI,7CI,8CI);1-(Bromomethyl)-2-(trifluoromethyl)benzene;2-Trifluoromethylbenzyl bromide;o-(Trifluoromethyl)benzyl bromide;a'-Bromo-a,a,a-trifluoro-o-xylene; |
| EINECS: | 206-901-7 |
| Density: | 1.568 g/cm3 |
| Melting Point: | 34-35 °C |
| Boiling Point: | 201.9 °C at 760 mmHg |
| Flash Point: | 83.3 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 C，  Xi
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-25-26 |
| Transport Information: | UN 1760 |
| PSA: | 0.00000 |
| LogP: | 3.60030 |
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Synthetic route
- 395-44-8
o-trifluoromethylbenzyl bromide
Conditions
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate; tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate; sodium bromide In water; acetonitrile at 20℃; for 24h; Sealed tube; Inert atmosphere; Irradiation; regioselective reaction; | 62% |
Conditions
| Conditions | Yield |
|---|---|
| (bromination); | |
| With pyridine; phosphorus tribromide at -10 - -5℃; | |
| With sulfuric acid; hydrogen bromide | |
| With carbon tetrabromide; triphenylphosphine In dichloromethane for 2h; Substitution; reflux; | |
| With phosphorus tribromide In dichloromethane; water; toluene |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: (bromination) View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: PBr3, Py / -10 - -5 °C View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: aq. HBr, H2SO4 View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetra(n-butyl)ammonium hydrogensulfate / ethylene glycol / 4 h / 80 °C / Sealed tube; Inert atmosphere 2: sodium bromide; dipotassium peroxodisulfate; tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate / acetonitrile; water / 24 h / 20 °C / Sealed tube; Inert atmosphere; Irradiation View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| In toluene for 12h; Reflux; | 100% |
| In toluene Reflux; | 77% |
| In toluene at 80℃; for 16h; |
- 395-44-8
o-trifluoromethylbenzyl bromide
- 157930-09-1, 157930-10-4, 157930-11-5, 157930-13-7, 157930-14-8
6-Mercaptopurine
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 6-Mercaptopurine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: o-trifluoromethylbenzyl bromide In N,N-dimethyl-formamide at 20℃; Further stages; | A 91% B 99% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: Quinoline-2-thiol With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃; for 0.5h; Stage #2: o-trifluoromethylbenzyl bromide In toluene at 20℃; for 17h; | 99% |
- 395-44-8
o-trifluoromethylbenzyl bromide
- 13331-27-6
m-nitrobenzene boronic acid
- 886211-35-4
1-(3-nitrobenzyl)-2-(trifluoromethyl)benzene
Conditions
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; water at 50℃; for 16h; | 98% |
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2-(Trifluoromethyl)benzyl bromide
Chemistry
IUPAC Name: 1-(bromomethyl)-2-(trifluoromethyl)benzene
The MF of 2-(Trifluoromethyl)benzyl bromide(395-44-8): C8H6BrF3
The MW of 2-(Trifluoromethyl)benzyl bromide(395-44-8): 239.03
EINECS: 206-901-7
mp: 34-35 °C
bp: 72 °C (7.5 mmHg)
density: 1.57
refractive index: 1.496-1.499
Fp: 83 °C
Sensitive: Lachrymatory
Solubility in water: Insoluble
Appearance: Colorless to light yellow liquid
Categories: Fluoro-contained benzyl bromide series
Synonyms: ALPHA'-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-XYLENE;2-(TRIFLUOROMETHYL)BENZYL BROMIDE;O-(TRIFLUOROMETHYL)BENZYL BROMIDE;Benzene,1-(bromomethyl)-2-(trifluoromethyl)-;TIMTEC-BB SBB006692;
The Structure of 2-(Trifluoromethyl)benzyl bromide(395-44-8):
The MF of 2-(Trifluoromethyl)benzyl bromide(395-44-8): C8H6BrF3
The MW of 2-(Trifluoromethyl)benzyl bromide(395-44-8): 239.03
EINECS: 206-901-7
mp: 34-35 °C
bp: 72 °C (7.5 mmHg)
density: 1.57
refractive index: 1.496-1.499
Fp: 83 °C
Sensitive: Lachrymatory
Solubility in water: Insoluble
Appearance: Colorless to light yellow liquid
Categories: Fluoro-contained benzyl bromide series
Synonyms: ALPHA'-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-XYLENE;2-(TRIFLUOROMETHYL)BENZYL BROMIDE;O-(TRIFLUOROMETHYL)BENZYL BROMIDE;Benzene,1-(bromomethyl)-2-(trifluoromethyl)-;TIMTEC-BB SBB006692;
The Structure of 2-(Trifluoromethyl)benzyl bromide(395-44-8):
Safety Profile
Hazard Codes: 
C,
Xi
Risk Statements: 34
34: Causes burns
Safety Statements: 45-36/37/39-25-26
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: 1760
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III
C,Xi Risk Statements: 34
34: Causes burns
Safety Statements: 45-36/37/39-25-26
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: 1760
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8
PackingGroup: III
Specification
1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid immediately. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Use only in a well ventilated area. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid immediately. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Use only in a well ventilated area. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.