| Pubchem Sid | 488184049 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184049 |
| Canonical Smiles | CC1=CC(=C(C=C1)[N+](=O)[O-])F |
| IUPAC Name | 2-fluoro-4-methyl-1-nitrobenzene |
| InChIKey | WZMOWQCNPFDWPA-UHFFFAOYSA-N |
| INCHI | 1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])F |
| WGK Germany | 3 |
| Molecular Weight | 155.13 |
| Beilstein | 2502584 |
| Reaxy-Rn | 2502584 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2502584&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1710074 | Certificate of Analysis | Mar 04, 2025 | F120690 |
| B1320025 | Certificate of Analysis | Sep 10, 2024 | F120690 |
| L2425290 | Certificate of Analysis | Jul 01, 2024 | F120690 |
| L2431118 | Certificate of Analysis | Jul 01, 2024 | F120690 |
| D2313602 | Certificate of Analysis | Apr 27, 2023 | F120690 |
| E2316565 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316572 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316584 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316588 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316590 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316591 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316592 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316593 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| E2316594 | Certificate of Analysis | Mar 23, 2023 | F120690 |
| Solubility | Insoluble in water; Soluble in Methanol |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | >110°C(230°F) |
| Boil Point(°C) | 98°C/3mmHg |
| Melt Point(°C) | 54°C |
| Molecular Weight | 155.130 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 155.038 Da |
| Monoisotopic Mass | 155.038 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
