Cas no 392-83-6 (2-Bromobenzotrifluoride)

2-Bromobenzotrifluoride (CAS 392-83-6) is a halogenated aromatic compound featuring a bromine substituent and a trifluoromethyl group on a benzene ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Negishi couplings. The electron-withdrawing trifluoromethyl group enhances the compound's stability and influences its electrophilic properties, while the bromine atom serves as a versatile leaving group for nucleophilic substitution. Its applications span pharmaceuticals, agrochemicals, and materials science, where precise functionalization is required. The compound is typically handled under inert conditions due to its sensitivity to moisture and light.
2-Bromobenzotrifluoride structure
2-Bromobenzotrifluoride structure
Product Name:2-Bromobenzotrifluoride
CAS No:392-83-6
MF:C7H4BrF3
MW:225.005871772766
MDL:MFCD00000373
CID:37186
PubChem ID:24891872
Update Time:2025-05-20

2-Bromobenzotrifluoride Chemical and Physical Properties

Names and Identifiers

    • 2-Bromobenzotrifluoride
    • 2-bromo-alpha,alpha,alpha-trifluorotoluene
    • 2-Bromo-1-trifluoromethylbenzene
    • 1-Bromo-2-(trifluoromethyl)benzeneo-Bromobenzotrifluoride
    • o-bromotrifluorotoluene
    • 2-bromo-α,α,α-trifluorotoluene
    • 1-bromo-2-(trifluoromethyl) benzene
    • o-Bromobenzotrifluoride
    • 2-Brombenzotrifluorid
    • 2-Bromobenzotrifluor
    • 2-BROMOTRIFLUOROTOLUENE
    • o-Bromobenzyltrifluoride
    • o-bromo-trifluoromethylbenzene
    • o-CF3C6H4Br
    • ORTHO-BROMOBENZOTRIFLUORIDE
    • 1-Bromo-2-(trifluoromethyl)benzene
    • Benzene, 1-bromo-2-(trifluoromethyl)-
    • o-(Trifluoromethyl)bromobenzene
    • 2-(TRIFLUOROMETHYL)BROMOBENZENE
    • 2-Brombenzotrifluorid [Czech]
    • 1-bromo-2-trifluoromethyl-benzene
    • 2-BROMO-A,A,A-TRIFLUOROTOLUENE
    • 2-Bromotrifluoromethylbenzene
    • 2-Bromobenzotrifluoride,
    • 1-Bromo-2-(trifluoromethyl)benzene, 99%
    • AKOS015853138
    • B0663
    • 2-(trifluoromethyl)phenyl bromide
    • 1-bromo-2-trifluoromethyl benzene
    • 2-bromo benzotrifluoride
    • FT-0611387
    • SCHEMBL363301
    • TOLUENE, o-BROMO-alpha,alpha,alpha-TRIFLUORO-
    • o-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene
    • bromo-2-(trifluoromethyl)benzene
    • Toluene, o-bromo-.alpha.,.alpha.,.alpha.-trifluoro-
    • o-Bromo(trifluoromethyl)benzene
    • RP10155
    • 1-Bromo-2-(trifluoromethyl)benzene #
    • 2-Bromo-(trifluoromethyl)benzene
    • o-bromotrifluoromethylbenzene
    • Toluene, alpha,alpha,alpha-trifluoro-2-bromo-
    • BRN 1945750
    • CS-0016026
    • 2-trifluoromethylbromobenzene
    • o-trifluoromethyl-bromobenzene
    • AC-14089
    • A5893
    • AS-11984
    • 1-bromo-2-trifluoromethylbenzene
    • InChI=1/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4
    • 2-bromo-I+/-,I+/-,I+/--trifluorotoluene
    • NS00043153
    • EN300-65432
    • W-106448
    • 2-trifluoromethyl-bromobenzene
    • 2-Bromobenzotrifluoride, 99%
    • A6580
    • FT-0655198
    • o-bromo-a,a,a-trifluorotoluene
    • bromobenzotrifluoride
    • AM61945
    • EINECS 206-879-9
    • trifluoromethylbromobenzene
    • 392-83-6
    • MFCD00000373
    • Toluene, .alpha.,.alpha.,.alpha.-trifluoro-2-bromo-
    • o-trifluoromethylbromobenzene
    • DTXSID7059939
    • O-bromo trifluoromethylbenzene
    • ORTHO-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
    • BROMOBENZENEMETHYLTRIFLUORIDE
    • 1-bromo-2-(trifluoromethyl)benzene,2-Bromobenzotrifluoride
    • 2 /o-Bromobenzotrifluoride
    • 1-Bromo-2-(trifluoromethyl)benzene, 2-Bromo-alpha, alpha,alpha-trifluorotoluene
    • 4-05-00-00831 (Beilstein Handbook Reference)
    • DTXCID4039605
    • 1-Bromo-2-(trifluoromethyl)benzene; o-Bromobenzotrifluoride
    • o-Bromo-alpha,alpha,alpha-trifluorotoluene
    • MDL: MFCD00000373
    • Inchi: 1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
    • InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1C(F)(F)F
    • BRN: 1945750

Computed Properties

  • Exact Mass: 223.94500
  • Monoisotopic Mass: 223.944847
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • Molecular Weight: 225.01
  • XLogP3: 3.6
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Oily liquid.
  • Density: 1.652?g/mL?at 25?°C(lit.)
  • Melting Point: 149.3-149.6 °C(Solv: ethyl acetate (141-78-6))
  • Boiling Point: 171°C(lit.)
  • Flash Point: Fahrenheit: 125.6 ° f
    Celsius: 52 ° c
  • Refractive Index: n20/D 1.482(lit.)
  • PSA: 0.00000
  • LogP: 3.46790
  • Solubility: Soluble in water and concentrated potassium sulfate solution, almost insoluble in ethanol.

2-Bromobenzotrifluoride Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226,H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:2
  • Hazard Category Code: 10
  • Safety Instruction: S16-S26-S36-S37/39
  • RTECS:XS7980000
  • Hazardous Material Identification: Xi
  • HazardClass:3
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:Store at room temperature
  • Packing Group:III
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10; R36/37/38

2-Bromobenzotrifluoride Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-Bromobenzotrifluoride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
B58806-25G
2-Bromobenzotrifluoride
392-83-6
25g
¥264.74 2023-11-11
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
B58806-100G
2-Bromobenzotrifluoride
392-83-6
100g
¥822.54 2023-11-11
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B0663-250g
2-Bromobenzotrifluoride
392-83-6 97.0%(GC)
250g
¥1370.0 2022-06-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B0663-25g
2-Bromobenzotrifluoride
392-83-6 97.0%(GC)
25g
¥220.0 2022-06-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
BQ308-25g
2-Bromobenzotrifluoride
392-83-6 98%
25g
¥47.0 2022-06-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
BQ308-500g
2-Bromobenzotrifluoride
392-83-6 98%
500g
¥608.0 2022-06-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
BQ308-100g
2-Bromobenzotrifluoride
392-83-6 98%
100g
¥131.0 2022-06-10
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R001766-100g
2-Bromobenzotrifluoride
392-83-6 99%
100g
¥121 2024-05-23
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R001766-25g
2-Bromobenzotrifluoride
392-83-6 99%
25g
¥33 2024-05-23
TRC
B807918-5g
2-Bromobenzotrifluoride
392-83-6
5g
$ 50.00 2022-06-06

2-Bromobenzotrifluoride Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:392-83-6)2-Bromobenzotrifluoride
Order Number:sfd12286
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:392-83-6)
Order Number:SFD1021
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
Price ($):
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:392-83-6)鄰溴三氟甲苯
Order Number:LE1755123
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:36
Price ($):discuss personally

Additional information on 2-Bromobenzotrifluoride

Introduction to 2-Bromobenzotrifluoride (CAS No. 392-83-6)

2-Bromobenzotrifluoride, with the chemical formula C?H?BrF?, is a fluorinated aromatic brominated compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, identified by its unique CAS No. 392-83-6, serves as a versatile intermediate in the synthesis of various biologically active molecules. Its molecular structure, featuring a bromine substituent on a benzene ring trifluorinated at three positions, imparts distinct reactivity that makes it valuable for further functionalization.

The utility of 2-Bromobenzotrifluoride stems from its ability to participate in a wide range of chemical transformations, including cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed reactions. These properties have made it a staple in synthetic organic chemistry, particularly in the development of novel pharmaceuticals. Recent advancements in medicinal chemistry have highlighted its role in constructing complex drug scaffolds, where the bromine and fluorine moieties can be strategically modified to enhance biological activity.

In the realm of drug discovery, 2-Bromobenzotrifluoride has been employed in the synthesis of kinase inhibitors, anticancer agents, and antimicrobial compounds. The presence of fluorine atoms is particularly noteworthy, as they are known to influence metabolic stability and binding affinity to biological targets. For instance, fluorinated aromatic compounds have been shown to improve oral bioavailability and resistance to enzymatic degradation, making them attractive candidates for therapeutic development.

Recent studies have demonstrated the efficacy of 2-Bromobenzotrifluoride in generating libraries of heterocyclic compounds for high-throughput screening. By leveraging its reactivity, researchers have been able to rapidly assemble novel structures with potential therapeutic applications. One notable example involves its use in the preparation of substituted pyrimidines and pyrazoles, which are key motifs in many pharmacologically active molecules.

The synthesis of 2-Bromobenzotrifluoride typically involves the bromination of pre-existing trifluorobenzene derivatives or through multi-step sequences starting from simpler precursors. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have further expanded its synthetic utility. These techniques allow for the introduction of additional functional groups while maintaining the integrity of the bromine and fluorine substituents.

From an industrial perspective, the demand for 2-Bromobenzotrifluoride has grown alongside the expansion of fluorinated pharmaceuticals. Manufacturers have optimized production processes to ensure high purity and yield, catering to both academic and industrial needs. The compound’s stability under various storage conditions also enhances its practicality as an intermediate in large-scale syntheses.

Future research directions may explore novel applications of 2-Bromobenzotrifluoride in areas such as materials science and advanced catalysis. Its unique electronic properties make it a candidate for developing organic semiconductors or ligands for transition metal catalysis. As synthetic chemistry continues to evolve, the versatility of this compound is likely to be further harnessed.

In conclusion, 2-Bromobenzotrifluoride (CAS No. 392-83-6) represents a cornerstone intermediate in modern chemical synthesis. Its role in pharmaceutical development underscores its importance as a building block for life-saving therapeutics. With ongoing research uncovering new applications and synthetic strategies, this compound is poised to remain a critical component in both academic and industrial laboratories.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:392-83-6)2-Bromobenzotrifluoride
sfd12286
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Jiangsu Xinsu New Materials Co., Ltd
(CAS:392-83-6)
SFD1021
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email