HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10036983Generated: October 23, 2026
1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
2-Bromo-5-fluoro-4-nitrotoluene 97% · 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene · 2-BroMo-5-fluoro-4-nitrotoluene · 2-Bromo-5-fluoro-4-nitrotoluene97% · 5-BroMo-2-fluoro-4-Methylnitrobenzene · 4-Fluoro-2-methyl-5-nitrobromobenzene · Benzene, 1-bromo-4-fluoro-2-methyl-5-nitro- · 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 5-Bromo-2-fluoro-4-methylnitrobenzene
https://huagongshe.com/en/chemical/10036983
Identifiers & Physical Properties
| CAS No. | 170098-98-3 |
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| Molecular formula | C7H5BrFNO2 |
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| Average molar mass | 234.02 g/mol |
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| Monoisotopic mass | 232.94876872 g/mol |
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| SMILES | Cc1cc(F)c([N+](=O)[O-])cc1Br |
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| InChIKey | VMXDJIHJOUZBAW-UHFFFAOYSA-N |
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| PubChem CID | 10036983 |
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| EC No. | 982-466-3 |
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| DTXSID | DTXSID101277251 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 45.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 185 |
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| Boiling point | 290.7±35.0 °C(Predicted) |
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| Density | 1.696±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Solubility | Chloroform (Slightly), DMSO (Slightly) |
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| Physical state | Solid |
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| Color | White to Off-White |
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| InChI | InChI=1S/C7H5BrFNO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3 |
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| InChIKey | VMXDJIHJOUZBAW-UHFFFAOYSA-N |
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| SMILES | C1(Br)=CC([N+]([O-])=O)=C(F)C=C1C |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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| Customs code | 2904990090 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Customs code | 2904990090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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