- Preparation of cyanoindoline derivatives for use as NIK inhibitors, World Intellectual Property Organization, , ,
Cas no 948294-26-6 (1-bromo-2-fluoro-5-methyl-4-nitro-benzene)
1-Bromo-2-fluoro-5-methyl-4-nitro-benzene is a halogenated nitroaromatic compound with a molecular formula of C?H?BrFNO?. This derivative of benzene features bromine and fluorine substituents at the 1- and 2-positions, respectively, along with a methyl group at the 5-position and a nitro group at the 4-position. Its distinct substitution pattern makes it a valuable intermediate in organic synthesis, particularly for constructing complex aromatic frameworks in pharmaceuticals, agrochemicals, and materials science. The presence of both electron-withdrawing (nitro, bromo, fluoro) and electron-donating (methyl) groups enhances its reactivity in cross-coupling and nucleophilic substitution reactions. The compound is typically supplied as a high-purity solid, ensuring consistent performance in synthetic applications.
948294-26-6 structure
Product Name:1-bromo-2-fluoro-5-methyl-4-nitro-benzene
CAS No:948294-26-6
MF:C7H5BrFNO2
MW:234.0225045681
MDL:MFCD07777174
CID:2169961
PubChem ID:26597863
Update Time:2025-06-08
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromo-4-fluoro-2-nitrotoluene
- 1-bromo-2-fluoro-5-methyl-4-nitrobenzene
- 1-Bromo-2-fluoro-5-methyl-4-nitro-benzene
- 2-fluoro-5-methyl-4-nitrobromobenzene
- 1-Bromo-2-fluoro-5-methyl-4-nitrobenzene (ACI)
- SY039022
- AS-52961
- CS-0052592
- SCHEMBL18959359
- PB48719
- YMB29426
- SCHEMBL17466092
- AKOS026670534
- P15915
- EN300-3235730
- 948294-26-6
- MFCD07777174
- DB-253378
- 1-bromo-2-fluoro-5-methyl-4-nitro-benzene
-
- MDL： MFCD07777174
- Inchi： 1S/C7H5BrFNO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3
- InChI Key： ZIULASDABKIDOV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=CC(Br)=C(F)C=1)=O
Computed Properties
- Exact Mass: 232.94900
- Monoisotopic Mass: 232.94877g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 185
- 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: 2.9
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.82000
- LogP: 3.32800
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Customs Data
- HS CODE：2904909090
- Customs Data：
China Customs Code:
2904909090Overview:
2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 032900-1g |
1-Bromo-2-fluoro-5-methyl-4-nitro-benzene |
948294-26-6 | 97.0% | 1g |
￡56.00 | 2022-03-01 | |
| Alichem | A013022803-250mg |
5-Bromo-4-fluoro-2-nitrotoluene |
948294-26-6 | 97% | 250mg |
$470.40 | 2023-08-31 | |
| Alichem | A013022803-500mg |
5-Bromo-4-fluoro-2-nitrotoluene |
948294-26-6 | 97% | 500mg |
$798.70 | 2023-08-31 | |
| Alichem | A013022803-1g |
5-Bromo-4-fluoro-2-nitrotoluene |
948294-26-6 | 97% | 1g |
$1475.10 | 2023-08-31 | |
| Chemenu | CM315005-5g |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 5g |
$400 | 2021-06-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y05905-1g |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 1g |
￥829.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y05905-5g |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 5g |
￥2259.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y05905-25g |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 25g |
￥10879.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y05905-10g |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 10g |
￥4429.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y05905-250mg |
1-Bromo-2-fluoro-5-methyl-4-nitrobenzene |
948294-26-6 | 95% | 250mg |
￥529.0 | 2024-07-18 |
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sulfuric acid , Potassium nitrate ; < 5 °C; 2 h, 5 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Nitric acid Catalysts: Sulfuric acid ; 10 min, 0 °C; 5 h, rt
Reference
- Preparation of condensed pyrazole compounds as TTK protein kinase inhibitors, Japan, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: 1,2-Dichloroethane ; 2 h, reflux
Reference
- 4-Oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamides as inhibitors of Bruton's tyrosine kinase and their preparation, World Intellectual Property Organization, , ,
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Raw materials
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Preparation Products
1-bromo-2-fluoro-5-methyl-4-nitro-benzene Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
948294-26-6 (1-bromo-2-fluoro-5-methyl-4-nitro-benzene) Related Products
- 361-43-3(1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene)
- 1427502-92-8(2-Bromo-3-fluoro-6-nitrotoluene)
- 224185-19-7(1-bromo-2-fluoro-4-methyl-5-nitro-benzene)
- 1121586-27-3(1-Bromo-2-fluoro-4-nitro-5-(trifluoromethyl)benzene)
- 314-38-5(4-Amino-5,6-dichloropyrimidine)
- 1352397-24-0(4-Bromo-3-fluoro-2-nitrotoluene)
- 213382-45-7(5-Bromo-4-fluoro-2-nitrobenzaldehyde)
- 1807209-28-4(3-Bromo-2-fluoro-6-nitrotoluene)
- 1427502-98-4(6-Amino-4-bromo-3-fluoro-2-nitrotoluene)
- 1427503-16-9(2-Amino-4-bromo-3-fluoro-6-nitrotoluene)
Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
