Cas no 844879-12-5 (4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE)
4-Bromo-3'-chloro-5'-fluorobenzophenone is a halogenated benzophenone derivative with a molecular formula of C??H?BrClFO. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct halogen substitution pattern (bromo, chloro, and fluoro groups) enhances reactivity and selectivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The compound’s crystalline structure and high purity make it suitable for precise synthetic applications. Its stability under standard conditions ensures reliable handling and storage. Researchers value this intermediate for its versatility in constructing complex molecular frameworks with tailored electronic and steric properties.
844879-12-5 structure
Product Name:4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE
CAS No:844879-12-5
MF:C13H7BrClFO
MW:313.549485445023
CID:890674
PubChem ID:2756878
Update Time:2025-06-09
4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE Chemical and Physical Properties
Names and Identifiers
-
- 4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE
- (4-bromophenyl)-(3-chloro-5-fluorophenyl)methanone
- PC2333
- (4-Bromo-phenyl)-(3-chloro-5-fluoro-phenyl)-methanone
- 844879-12-5
- MFCD06201449
- AKOS016018475
- (4-bromophenyl)(3-chloro-5-fluorophenyl)methanone
- DTXSID20373607
-
- MDL： MFCD06201449
- Inchi： 1S/C13H7BrClFO/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7H
- InChI Key： ILOWRYPGVHKBBG-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C1C=C(C=C(C=1)Cl)F)=O
Computed Properties
- Exact Mass: 311.93500
- Monoisotopic Mass: 311.935
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 279
- 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
- XLogP3: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.568
- Boiling Point: 393.5°C at 760 mmHg
- Flash Point: 191.8°C
- Refractive Index: 1.602
- PSA: 17.07000
- LogP: 4.47260
4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE Security Information
- Hazard Statement： Irritant
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE Customs Data
- HS CODE：2914700090
- Customs Data：
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative 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, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 022672-1g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 1g |
￡273.00 | 2022-02-28 | |
| Fluorochem | 022672-5g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 5g |
￡709.00 | 2022-02-28 | |
| Fluorochem | 022672-25g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 25g |
￡2386.00 | 2022-02-28 | |
| A2B Chem LLC | AC27635-1g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 1g |
$423.00 | 2024-04-19 | |
| A2B Chem LLC | AC27635-2g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 2g |
$737.00 | 2024-04-19 | |
| A2B Chem LLC | AC27635-5g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 97% | 5g |
$1288.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650636-1g |
(4-Bromophenyl)(3-chloro-5-fluorophenyl)methanone |
844879-12-5 | 98% | 1g |
￥6980.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650636-5g |
(4-Bromophenyl)(3-chloro-5-fluorophenyl)methanone |
844879-12-5 | 98% | 5g |
￥10508.00 | 2024-07-28 | |
| Crysdot LLC | CD12025972-1g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 95+% | 1g |
$316 | 2024-07-24 | |
| Crysdot LLC | CD12025972-5g |
4-Bromo-3'-chloro-5'-fluorobenzophenone |
844879-12-5 | 95+% | 5g |
$922 | 2024-07-24 |
4-BROMO-3'-CHLORO-5'-FLUOROBENZOPHENONE Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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