Methyl 5-nitroisophthalate
- CAS No.
- 1955-46-0
- Chemical Name:
- Methyl 5-nitroisophthalate
- Synonyms
- 3-(Methoxycarbonyl)-5-nitrobenzoic acid;5-NITROISOPHTHALIC ACID MONOMETHYL ESTER;NITROISOPHTHALIC-5 ACID, MONOMETHYL ESTER;5-NIPA-MME;5-Nitroisophthalic;Adagrasib Impurity 62;LABOTEST-BB LT00848268;Methyl 5-nitroisophthalate;mono-Methyle5-nitroisophthalate;MONO-METHYL 5-NITROISOPHTHALATE
- CBNumber:
- CB1103885
- Molecular Formula:
- C9H7NO6
- Molecular Weight:
- 225.15
- MDL Number:
- MFCD00009793
- MOL File:
- 1955-46-0.mol
- MSDS File:
- SDS
| 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 ℃ |
| form | Fine Crystalline Powder |
| pka | 3.11±0.10(Predicted) |
| color | Slightly yellow |
| Water Solubility | insoluble |
| BRN | 1469253 |
| InChI | 1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12) |
| InChIKey | ZCRNIIJXDRYWDU-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O |
| LogP | 1.65 at 25℃ |
| CAS DataBase Reference | 1955-46-0(CAS DataBase Reference) |
| FDA UNII | V8UVV7P68X |
| EPA Substance Registry System | Monomethyl 5-nitroisophthalate (1955-46-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | T+ | |||||||||
| Risk Statements | 36/37/38-26/27/28 | |||||||||
| Safety Statements | 22-24/25-45-36/37/39 | |||||||||
| RIDADR | UN 2811 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29173980 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
Methyl 5-nitroisophthalate price More Price(50)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | N0641 | Monomethyl 5-Nitroisophthalate >98.0%(T) | 1955-46-0 | 25g | $32 | 2026-04-30 | Buy |
| TCI Chemical | N0641 | Monomethyl 5-Nitroisophthalate >98.0%(T) | 1955-46-0 | 500g | $240 | 2026-04-30 | Buy |
| TRC | TRC-M323770-5G | Methyl 5-Nitroisophthalate | 1955-46-0 | 5g | $167 | 2026-06-03 | Buy |
| TRC | TRC-M323770-50G | Methyl 5-Nitroisophthalate | 1955-46-0 | 50g | $339 | 2026-06-03 | Buy |
| Biosynth | FN137812 | 5-Nitroisophthalic acid monomethyl ester | 1955-46-0 | 100g | $254 | 2026-06-04 | Buy |
Methyl 5-nitroisophthalate Chemical Properties,Uses,Production
Chemical Properties
SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
Uses
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.
Uses
mono-Methyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 3-amide-5-[(dipropylamino)carbonyl]benzoic acids.
Flammability and Explosibility
Non flammable
Methyl 5-nitroisophthalate Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Zhejiang Jianfeng Haizhou Pharmaceutical Co., Ltd. | 0576-88221739 | sales@haizhoupharm.com | China | 44 | 60 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
View Lastest Price from Methyl 5-nitroisophthalate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-09-11 | mono-Meethyl 5-nitroisophthalate
1955-46-0
|
$40.00 | 25Kg/Drum | 98.00%HPLC | 5tons/month | Asia Chem I and E (Jiangsu) Co Ltd | |
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2026-06-30 | Methyl 5-nitroisophthalate
1955-46-0
|
1kg | 99% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
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2021-08-12 | Methyl 5-nitroisophthalate
1955-46-0
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd |
-

- mono-Meethyl 5-nitroisophthalate
1955-46-0
- $40.00
- 98.00%HPLC
- Asia Chem I and E (Jiangsu) Co Ltd
-

- Methyl 5-nitroisophthalate
1955-46-0
- $0.00
- 99%
- Shaanxi Dideu New Materials Co. Ltd
-

- Methyl 5-nitroisophthalate
1955-46-0
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
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