Methyl 5-nitroisophthalate
Synonym(s):Monomethyl 5-nitrobenzene-1,3-dicarboxylate
- CAS NO.：1955-46-0
- Empirical Formula: C9H7NO6
- Molecular Weight: 225.15
- MDL number: MFCD00009793
- EINECS: 217-793-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is Methyl 5-nitroisophthalate?
Chemical properties
SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
The Uses of Methyl 5-nitroisophthalate
Methyl 5-nitroisophthalate is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors tha t target cancer cells.
The Uses of Methyl 5-nitroisophthalate
mono-Methyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 3-amide-5-[(dipropylamino)carbonyl]benzoic acids.
What are the applications of Application
mono-Methyl 5-nitroisophthalate is used to prepare heterotrifunctional crosslinkers for multiple bioconjugation with peptides
Flammability and Explosibility
Non flammable
Properties of Methyl 5-nitroisophthalate
| Melting point: | 180-182 °C (lit.) |
| Boiling point: | 366.65°C (rough estimate) |
| Density | 1.5322 (rough estimate) |
| vapor pressure | 0-0Pa at 25℃ |
| refractive index | 1.5200 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 9g/L in organic solvents at 20 ℃ |
| pka | 3.11±0.10(Predicted) |
| form | Fine Crystalline Powder |
| color | Slightly yellow |
| Water Solubility | insoluble |
| BRN | 1469253 |
| CAS DataBase Reference | 1955-46-0(CAS DataBase Reference) |
| EPA Substance Registry System | Monomethyl 5-nitroisophthalate (1955-46-0) |
Safety information for Methyl 5-nitroisophthalate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl 5-nitroisophthalate
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product: 1955-46-0 mono-Methyl 5-nitroisophthalate 98%
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