Cas no 1355247-53-8 (2-fluoro-1-methyl-4-(3-nitrophenyl)benzene)
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene is a fluorinated aromatic compound featuring a methyl substituent and a nitro-functionalized phenyl group. Its structural design combines electron-withdrawing (nitro and fluoro) and electron-donating (methyl) groups, making it a versatile intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The fluorine atom enhances metabolic stability and binding affinity in bioactive molecules, while the nitro group offers reactivity for further functionalization, such as reduction to amines. The compound’s well-defined regiochemistry and purity ensure consistent performance in cross-coupling reactions and other transformations. Its stability under standard storage conditions further supports its utility in research and industrial applications.
1355247-53-8 structure
Product Name:2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CAS No:1355247-53-8
MF:C13H10FNO2
MW:231.222406864166
MDL:MFCD21332975
CID:2771422
PubChem ID:70699657
Update Time:2025-05-27
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
- MFCD21332975
- DTXSID60742772
- AKOS025294389
- 3-Fluoro-4-methyl-3'-nitro-1,1'-biphenyl
- 1355247-53-8
- BS-25305
- CS-0212640
-
- MDL： MFCD21332975
- Inchi： 1S/C13H10FNO2/c1-9-5-6-11(8-13(9)14)10-3-2-4-12(7-10)15(16)17/h2-8H,1H3
- InChI Key： RWJHWEWUPHBDAM-UHFFFAOYSA-N
- SMILES： FC1=C(C)C=CC(=C1)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 231.07000
- Monoisotopic Mass: 231.06955672Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- 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: 3.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.82000
- LogP: 4.23250
2-fluoro-1-methyl-4-(3-nitrophenyl)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%
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F597120-100mg |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 100mg |
$81.00 | 2023-05-18 | ||
| TRC | F597120-250mg |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 250mg |
$155.00 | 2023-05-18 | ||
| TRC | F597120-500mg |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 500mg |
$236.00 | 2023-05-18 | ||
| TRC | F597120-1g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 1g |
$333.00 | 2023-05-18 | ||
| abcr | AB310563-1 g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene; 97% |
1355247-53-8 | 1 g |
€246.00 | 2023-07-19 | ||
| abcr | AB310563-1g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene, 97%; . |
1355247-53-8 | 97% | 1g |
€246.00 | 2025-04-21 | |
| Ambeed | A925758-1g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 97% | 1g |
$152.0 | 2024-04-24 | |
| Ambeed | A925758-5g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 97% | 5g |
$605.0 | 2024-04-24 | |
| Crysdot LLC | CD12151165-5g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 95+% | 5g |
$452 | 2024-07-23 | |
| A2B Chem LLC | AD54104-1g |
2-Fluoro-1-methyl-4-(3-nitrophenyl)benzene |
1355247-53-8 | 97% | 1g |
$142.00 | 2024-04-20 |
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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