Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate / Other Chemicals

4-Bromobenzotrifluoride

CAS：402-43-7
MW:225.00587
MF：C7H4BrF3

4-Bromobenzotrifluoride, with the chemical formula C7H4BrF3 and CAS registry number 402-43-7, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as 4-Bromotrifluorotoluene, is characterized by its bromine and trifluoromethyl functional groups. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. 4-Bromobenzotrifluoride is also used as a solvent and as an intermediate in the production of dyes and pigments. It is known for its high stability and low reactivity, making it suitable for a wide range of applications. Overall, 4-Bromobenzotrifluoride is a versatile compound with diverse uses in the chemical industry.

View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 4-Bromobenzotrifluoride

1.2 Synonyms: 1-bromo-4-(trifluoromethyl)benzene; 4-(Trifluoromethyl)bromobenzene; 4-(Trifluoromethyl)phenyl bromide; 4/p-Bromobenzotrifluoride; 4-Bromo Trifluoromethyl Benzene; 4-Bromo(trifluoromethyl)benzene; 4-Bromo-1-(trifluoromethyl)benzene; 4-Bromo-alpha,alpha,alpha-trifluorotoluene; 4-Bromobenzyltrifluoride; 4-bromotrifluoromethylbenzene; 4-Bromo-α,α,α-trifluorotoluene; 4-Trifluoromethane-1-bromobenzene; 4-Trifluoromethyl-1-bromobenzene; Benzene, 1-bromo-4-(trifluoromethyl)-; p-(Trifluoromethyl)bromobenzene; p-(Trifluoromethyl)phenyl bromide; p-bromo trifluorotoluene; p-Bromo(trifluoromethyl)benzene; P-Bromobenzotrifluoride; p-Bromo-α,α,α-trifluorotoluene; p-Trifluoromethyl Bromobenzene; Toluene, p-bromo-α,α,α-trifluoro-;

View all

1.3 CAS No.: 402-43-7

1.4 CID: 67872

1.5 EINECS: 206-943-6

1.6 Molecular Formula: C7H4BrF3

1.7 Inchi: InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

1.8 InChkey: XLQSXGGDTHANLN-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=CC=C1C(F)(F)F)Br

1.10 Isomers Smiles: C1=CC(=CC=C1C(F)(F)F)Br

2. Properties

2.1 Solubility: Not miscible or difficult to mix.

2.2 Appearance: Clear colorless to light yellow Liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID 4-Bromobenzotrifluoride Preparation Products And Raw materials Preparation Products

2.5 Color/Form: Clear colorless to light yellow

2.6 Water Solubility: Not miscible or difficult to mix.

2.7 StorageTemp: Flammables area

3. Use and Manufacturing

3.1 Description

4-Bromobenzotrifluoride, with the chemical formula C7H4BrF3, has the CAS number 402-43-7. It appears as a colorless liquid with a faint, sweet odor. The basic structure of 4-Bromobenzotrifluoride consists of a benzene ring with a bromine atom and three fluorine atoms attached to it. This compound is sparingly soluble in water. Safety information indicates that 4-Bromobenzotrifluoride may cause irritation to the skin and eyes. It is important to avoid ingestion and exposure to high temperatures, as it may emit toxic fumes. The primary hazard of 4-Bromobenzotrifluoride is its potential impact on the environment, particularly in terms of soil and groundwater contamination.

Applicable Fields

Chemical synthesis: 4-Bromobenzotrifluoride is commonly used in chemical synthesis processes. Its purpose in this field involves its ability to serve as a versatile building block for the synthesis of various organic compounds. The mechanism of action in chemical synthesis relies on the reactivity of the bromine atom and the trifluoromethyl group, allowing for the introduction of specific functional groups.

Pharmaceutical industry: This compound finds applications in the pharmaceutical industry. Its purpose in this field involves its role as an intermediate in the synthesis of pharmaceutical compounds. The mechanism of action in the pharmaceutical industry relies on the specific reactions that can be carried out using 4-Bromobenzotrifluoride as a starting material.

Storage

Conditions: Store in a cool and dry place.

View all

4. Safety and Handling

4.1 Safety: Hazard Codes :?Xi,F,Xn
Risk Statements : 10-36/37/38?
R10:Flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements : 26-36-37/39-16?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.?
S16:Keep away from sources of ignition.
RIDADR : UN 1993 3/PG 3
WGK Germany : 3
Hazard Note : Flammable
TSCA : T
HazardClass : 3
PackingGroup : III

View all

4.2 Specification: ?4-Bromobenzotrifluoride (CAS NO.402-43-7), its Synonyms are 4-Bromo-alpha,alpha,alpha-trifluorotoluene ; Benzene, 1-bromo-4-(trifluoromethyl)- ; p-Bromobenzotrifluoride ; 1-Bromo-4-(trifluoromethyl)benzene .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H226 Flammable liquid and vapour H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : liquid film

Raman : 4880 A,150M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

402-43-7Total: 46 Synthesis Route

98-16-8 214 Suppliers

402-43-7 270 Suppliers

98-08-8 100 Suppliers

401-78-5 264 Suppliers

402-43-7 270 Suppliers

View all

8. Precursor and Product

precursor:

698-67-9

98-08-8

589-87-7

402-54-0

586-76-5

619-75-0

349-03-1

312-75-4

98-16-8

product:

402-51-7

455-18-5

98-08-8

402-52-8

705-31-7

455-13-0

398-36-7

455-14-1

402-45-9

825-83-2

9. Computed Properties

Molecular Weight：225.00587g/mol
Molecular Formula：C₇H₄BrF₃
Compound Is Canonicalized：True
XLogP3-AA：223.94485
Monoisotopic Mass：223.94485
Complexity：124
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：0
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgAYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQBAAAABrACAGBAwAIAAAACAAiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgAAOAgAAAAAAAAAEAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: 4-Bromobenzotrifluoride is used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.

Manufacturing Info: Benzene, 1-bromo-4-(trifluoromethyl)-: ACTIVE

11. Toltal 257 Suppliers View more

High quality 4-Bromobenzotrifluoride CAS 402-43-7 in stock

Tianjin Furun Tongda International Trade Co., LTD

^1YR

Tel: Update Time:2024/11/15

inquire

Baoji Guokang Healthchem co.,ltd

^1YR

Tel: Update Time:2024/11/15

inquire

Hebei Yanxi Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/14

inquire

High purity 4-Bromobenzotrifluoride CAS 402-43-7 with competitive price

Hebei Crovell Biotech Co. Ltd

^1YR

Tel: Update Time:2024/11/15

inquire

Wuhan Fortuna Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/08/08

inquire

12. Related Questions

: What is 4-Bromobenzotrifluoride?4-Bromobenzotrifluoride is a derivative of aromatic hydrocarbons, appearing as a transparent colorless to pale yellow liquid, also known as 1-bromo-4-trifluoromethylbenzene, 4-bromo trifluorobenzene, ..; How to prepare and use 4-Bromobenzotrifluoride effectively?Background and overview[1] 4-Bromobenzotrifluoride is an organic intermediate that can be prepared by the heating reaction of 1-bromo-4-iodobenzene and 2-fluorosulfonyldifluoroacetic acid. There are r..

13. Realated Product Infomation