Cas no 392-83-6 (2-Bromobenzotrifluoride)
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:
- 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:
- 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:
2903999090Overview:
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
2-Bromobenzotrifluoride Related Literature
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Nicolai I. Nikishkin,Jurriaan Huskens,Willem Verboom Org. Biomol. Chem. 2013 11 3583
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Toshikazu Sakaguchi,Hikaru Shimada,Tamotsu Hashimoto Polym. Chem. 2020 11 6471
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Long Zou,Pinhua Li,Bin Wang,Lei Wang Chem. Commun. 2019 55 3737
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4. Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridinesThomas R. Puleo,Jeffrey S. Bandar Chem. Sci. 2020 11 10517
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5. Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridinesThomas R. Puleo,Jeffrey S. Bandar Chem. Sci. 2020 11 10517
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.
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