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3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE

3-Bromobenzotrifluoride

CAS: 401-78-5

Molecular Formula: C7H4BrF3

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3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Names and Identifiers

Name 3-Bromobenzotrifluoride
Synonyms 3-Bromobenzofluride
M-BROMOTRIFLUOROTOLUENE
3-Bromobenzotrifluoride
m-Bromobenzotrifluoride
m-Bromotrifluorotoluene
M-BROMOBENZOTRIFLUORIDE
3-BROMOTRIFLUOROTOLUENE
3-Bromotrifluorotoluene
3-Bromotrifluoromethylbenzene
M-BROMO-A,A,A-TRIFLUOROTOLUENE
3-bromo-α,α,α-trifluorotoluene
3-BROMO-1-TRIFLUOROMETHYLBENZENE
1-bromo-3-(trifluoromethyl)benzene
3-bromo-alpha,alpha,alpha-trifluorotoluene
3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
M-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
alpha,alpha,alpha-trifluoro-3-bromo-toluen
CAS 401-78-5
EINECS 206-932-6
InChI InChI=1/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Physico-chemical Properties

Molecular FormulaC7H4BrF3
Molar Mass225.01
Density1.613g/mLat 25°C(lit.)
Melting Point1°C
Boling Point151-152°C(lit.)
Flash Point110°F
Vapor Presure4.67mmHg at 25°C
AppearanceLiquid
Specific Gravity1.613
ColorClear colorless to slightly yellow
BRN1449557
Storage ConditionSealed in dry,Room Temperature
Refractive Indexn20/D 1.473(lit.)
Physical and Chemical PropertiesBoiling Point: 151 - 152

density: 1.613

flash point: 43
UseUsed as pharmaceutical, pesticide intermediates

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Risk and Safety

Risk CodesR10 - Flammable
R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS23 - Do not breathe vapour.
S24/25 - Avoid contact with skin and eyes.
S37/39 - Wear suitable gloves and eye/face protection
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S16 - Keep away from sources of ignition.
S36 - Wear suitable protective clothing.
UN IDsUN 1993 3/PG 3
WGK Germany3
RTECSXS7970000
TSCAYes
HS Code29036990
Hazard NoteFlammable
Hazard Class3
Packing GroupIII

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Nature

Open Data Verified Data

colorless transparent liquid. The boiling point is 153.5 ℃, the refractive index is 1. 4347, and the relative density is 1.623. Insoluble in water, soluble in ethanol, ether.

Last Update:2024-01-02 23:10:35

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Preparation Method

Open Data Verified Data
  1. direct bromination of trifluoromethylbenzene the yield of this process was 80%. Consumption quota: Trifluoromethyl benzene (≥ 98%) 686kg, bromine 114, iron powder 200kg/t.
  2. diazotization of M-aminotrifluoromethyl benzene
Last Update:2022-01-01 10:41:24

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Use

Open Data Verified Data

mainly used in the production of pesticides, pharmaceuticals, such as synthetic weight loss drugs fenfluramine.

Last Update:2022-01-01 10:41:23

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Safety

Open Data Verified Data

packed in 250kg lined iron drum.

Last Update:2022-01-01 10:41:24

3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE - Reference Information

NIST chemical information Information provided by: webbook.nist.gov (external link)
EPA chemical information Information provided by: ofmpub.epa.gov (external link)
use is mainly used to produce pesticides and medicines, such as synthetic weight loss drug fenfluramine, etc.
Used as an intermediate in medicine and pesticide
production method 1. direct bromination of trifluoromethyl benzene The yield of this method is 80%. Raw material consumption quota: 686 kg/t of trifluoromethylbenzene (≥ 98%), 1142 kg/t of bromine and 200 kg/t of iron powder. 2. It is obtained by diazotization and replacement of m-amino trifluorotoluene. Under stirring, the m-amino trifluorotoluene is slowly added to hydrobromic acid at a temperature not exceeding 50 ℃. Cool, add sodium nitrite solution, and control the temperature below 10 ℃ until the diazotization ends. Add the diazonium solution to the boiled cuprous bromide and hydrobromic acid solution, and start steam distillation to evaporate the organic matter with the steam. Stratify the distillate, take the organic layer, add concentrated sulfuric acid to wash, then wash with water and dilute alkali, and wash with water to neutral. The oil layer is dehydrated with anhydrous calcium chloride, filtered, distilled under reduced pressure, and the fraction at 73-74.5 ℃(6.0kPa) is collected to obtain m-bromotrifluorotoluene.
category toxic substances
stimulation data skin-rabbit 500 mg/24 hours mild; Eye-rabbit 500 mg/24 hours moderate
flammability hazard characteristics Thermal decomposition discharges toxic bromide and chloride fumes
storage and transportation characteristics warehouse ventilation and low temperature drying
fire extinguishing agent water, dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent
Last Update:2024-04-09 20:52:54
3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
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Mobile: +86-17551318830
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CAS: 401-78-5
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CAS: 401-78-5
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