Cas no 461-96-1 (1-Bromo-3,5-difluorobenzene)
1-Bromo-3,5-difluorobenzene Chemical and Physical Properties
Names and Identifiers
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- 1-Bromo-3,5-difluorobenzene
- 3,5-DIFLUOROBROMOBENZENE
- 3,5-difluoro-1-bromobenzene
- 1-Brom-3,5-difluorbenzol
- 3,5-DIFLUOROBROMOBENZENE A.K.A.1-BROMO-3,5-DIFLUOR
- 1-Bromo-3,5-difluoro
- 1-bromo-3,5-difluorobenene
- 1-bromo-3,5-difluoro-benzene
- 4-bromo-2,6-difluorobenzene
- 5-bromo-1,3-difluorobenzene
- 5-difluorobenzene
- 1-Bromo-3,5-difluorobenzene,99%
- 1-bromo3,5-difluorobenzene
- 461-96-1
- CS-W001124
- 1,3-Difluoro-5-bromobenzene; 1-Bromo-3,5-difluorobenzene; 3,5-Difluoro-1-bromobenzene; 3,5-Difluorobromobenzene; 3,5-Difluorophenyl Bromide; 5-Bromo-1,3-difluorobenzene
- 1-Bromo-3,5-difluorobenzene, 98%
- AC-13836
- 1-Bromo-3,5-difluoro benzene
- MFCD00010305
- 1-bromo-3,5-diflorobenzene
- 3,5-difluorophenyl bromide
- AKOS000121085
- SCHEMBL504770
- 1-bromo-3,5-difluorobenzen
- BCP25851
- 1-Bromo-3 pound not5-difluorobenzene
- NS00009520
- J-504413
- EC 416-710-2
- EN300-23994
- 3,5-difluoro bromobenzene
- AC-9666
- InChI=1/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3
- 1-bromo-3,5-diflurobenzene
- 3,5-difluoro-bromobenzene
- DTXSID90196724
- AS-11628
- 461-91-6
- 1-Bromo 3,5-difluorobenzene
- DB-022054
- bromo-3,5-difluorobenzene
- B1764
- 1-Bromo -3,5-difluorobenzene
- Benzene, 1-bromo-3,5-difluoro-
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- MDL: MFCD00010305
- Inchi: 1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
- InChI Key: JHLKSIOJYMGSMB-UHFFFAOYSA-N
- SMILES: FC1C=C(F)C=C(Br)C=1
- BRN: 1931520
Computed Properties
- Exact Mass: 191.93900
- Monoisotopic Mass: 191.939
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 87.1
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: Colorless to yellowish liquid
- Density: 1.676?g/mL?at 25?°C(lit.)
- Melting Point: -27 oC
- Boiling Point: 140°C
- Flash Point: Fahrenheit: 111.2 ° f
Celsius: 44 ° c - Refractive Index: n20/D 1.499(lit.)
- PH: 6.6 (0.238g/l, H2O, 20℃)
- Solubility: 0.238g/l
- Water Partition Coefficient: 0.238 g/L (20 oC)
- PSA: 0.00000
- LogP: 2.72730
- Solubility: dissolve in water
1-Bromo-3,5-difluorobenzene Security Information
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Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H226,H302,H315,H317,H373,H410
- Warning Statement: P273,P280,P501
- Hazardous Material transportation number:UN 1993 3/PG 3
- WGK Germany:2
- Hazard Category Code: 10-22-38-43-48/22-50/53
- Safety Instruction: S24; S36/37; S60; S61; S36; S26; S16
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Hazardous Material Identification:
- HazardClass:3
- PackingGroup:III
- Storage Condition:Store long-term at 2-8°C
- Safety Term:3
- Packing Group:III
- Risk Phrases:R10; R22; R38; R43; R48/22; R50/53
- Packing Group:III
- Hazard Level:3
1-Bromo-3,5-difluorobenzene Customs Data
- HS CODE:2903399090
- 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%
1-Bromo-3,5-difluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B1764-25g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 98.0%(GC) | 25g |
¥395.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B1764-250g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 98.0%(GC) | 250g |
¥1990.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B175A-100g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 99% | 100g |
¥153.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B175A-25g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 99% | 25g |
¥52.0 | 2022-09-28 | |
| Fluorochem | 001416-100g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 98% | 100g |
£17.00 | 2022-03-29 | |
| Fluorochem | 001416-250g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 98% | 250g |
£37.00 | 2022-03-29 | |
| Fluorochem | 001416-500g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | 98% | 500g |
£69.00 | 2022-03-29 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B123501-100g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | ≥98.0% | 100g |
¥126.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B123501-10g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | ≥98.0% | 10g |
¥39.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B123501-250g |
1-Bromo-3,5-difluorobenzene |
461-96-1 | ≥98.0% | 250g |
¥293.90 | 2023-09-04 |
1-Bromo-3,5-difluorobenzene Suppliers
1-Bromo-3,5-difluorobenzene Related Literature
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Alexander V. Aksenov,Dmitrii A. Aksenov,Nicolai A. Aksenov,Anton A. Skomorokhov,Elena V. Aleksandrova,Michael Rubin RSC Adv. 2021 11 1783
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Oliver Deeg,Peter B?uerle Org. Biomol. Chem. 2003 1 1609
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Naoki Okamura,Kazuaki Egawa,Takeshi Maeda,Shigeyuki Yagi New J. Chem. 2018 42 11583
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Wook Song,Ha Lim Lee,Jun Yeob Lee J. Mater. Chem. C 2017 5 5923
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Jen-Chun Hsueh,Fu-En Szu,Yin-Yin Yu,Man-kit Leung Org. Biomol. Chem. 2023 21 5297
Additional information on 1-Bromo-3,5-difluorobenzene
Chemical Profile of 1-Bromo-3,5-difluorobenzene (CAS No. 461-96-1)
1-Bromo-3,5-difluorobenzene, 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 serves as a versatile intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents. Its unique structural features, including the presence of both bromine and fluorine substituents, make it a valuable building block for further functionalization and derivatization.
The CAS no. 461-96-1 identifier firmly establishes this compound within the chemical registry, ensuring consistent referencing across scientific literature and industrial applications. As a halogenated aromatic compound, 1-bromo-3,5-difluorobenzene exhibits distinct electronic and steric properties that influence its reactivity and utility in synthetic chemistry. The bromine atom introduces a strong electron-withdrawing effect, while the two fluorine atoms at the 3 and 5 positions enhance lipophilicity and metabolic stability, which are critical factors in drug design.
In recent years, the pharmaceutical industry has shown increasing interest in fluorinated aromatic compounds due to their potential to improve drug efficacy and pharmacokinetic profiles. 1-Bromo-3,5-difluorobenzene has been employed in the synthesis of various small-molecule inhibitors targeting key biological pathways involved in diseases such as cancer, inflammation, and infectious disorders. For instance, studies have demonstrated its utility in generating substituted benzamides and benzothiazoles that exhibit potent inhibitory activity against specific enzymes.
One notable application of 1-bromo-3,5-difluorobenzene is in the development of kinase inhibitors, which are crucial for treating cancers and inflammatory diseases. Researchers have leveraged its reactive bromine moiety to introduce further functional groups through cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These transformations allow for the construction of complex molecular architectures with high precision, enabling the optimization of binding affinity and selectivity.
Moreover, the fluorine atoms in 1-bromo-3,5-difluorobenzene contribute to its stability under physiological conditions, reducing susceptibility to metabolic degradation. This characteristic is particularly advantageous in drug development, where prolonged half-life can enhance therapeutic outcomes. Recent advancements in computational chemistry have also facilitated the rational design of derivatives based on this scaffold by predicting binding interactions with biological targets.
The agrochemical sector has not been left behind in exploring the potential of 1-bromo-3,5-difluorobenzene. Its incorporation into pesticide formulations has led to the development of novel compounds with improved efficacy against resistant pests while maintaining environmental safety. The halogenated aromatic structure provides enhanced bioavailability and target specificity, making it a promising candidate for next-generation crop protection agents.
In conclusion, 1-bromo-3,5-difluorobenzene (CAS no. 461-96-1) represents a cornerstone intermediate in modern synthetic chemistry with far-reaching implications across pharmaceuticals and agrochemicals. Its unique structural attributes enable diverse chemical modifications, fostering innovation in drug discovery and agricultural science. As research continues to uncover new applications for this compound, its significance is expected to grow further within the scientific community.
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