4-Nitrophthalimide
4-Nitrophthalimide structure
|
Common Name | 4-Nitrophthalimide | ||
|---|---|---|---|---|
| CAS Number | 89-40-7 | Molecular Weight | 192.128 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C8H4N2O4 | Melting Point | 206 °C | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Nitrophthalimide |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Melting Point | 206 °C |
| Molecular Formula | C8H4N2O4 |
| Molecular Weight | 192.128 |
| Exact Mass | 192.017105 |
| PSA | 91.99000 |
| LogP | 0.88 |
| Index of Refraction | 1.658 |
| InChIKey | ANYWGXDASKQYAD-UHFFFAOYSA-N |
| SMILES | O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 |
| Stability | Stable. Combustible. Incompatible with moisture, water, strong oxidising agents, strong bases. |
| Water Solubility | <0.01 g/100 mL at 18 ºC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| RTECS | TI5625000 |
| HS Code | 2925190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~87%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Yang, Na; Wang, Qing-He; Wang, Wen-Qian; Wang, Jian; Li, Feng; Tan, Shen-Peng; Cheng, Mao-Sheng Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 53 - 56 |
|
~90%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Peng; Song; Qian Synthetic Communications, 2001 , vol. 31, # 12 p. 1927 - 1931 |
|
~56%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Jacq, Jerome; Berthiol, Florian; Einhorn, Cathy; Einhorn, Jacques Synlett, 2010 , # 15 p. 2263 - 2266 |
|
~%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Synthetic Communications, , vol. 33, # 9 p. 1499 - 1507 |
|
~%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: US2195076 , ; DE767834 , ; DRP/DRBP Org.Chem. |
|
~%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Carbohydrate Polymers, , vol. 80, # 3 p. 839 - 844 |
|
~%
4-Nitrophthalimide CAS#:89-40-7
Learn More
|
| Literature: Chemische Berichte, , vol. 33, p. 2811 |
|
~%
4-Nitrophthalimide CAS#:89-40-7 |
| Literature: Canadian Journal of Chemistry, , vol. 63, p. 121 - 128 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:3816-62-4
CAS#:3558-13-2
CAS#:3558-19-8
CAS#:3676-85-5
CAS#:140715-56-6
CAS#:140715-57-7
CAS#:40392-27-6
CAS#:41663-84-7
CAS#:3682-19-7
CAS#:64169-34-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2925190090 |
|---|---|
| Summary | 2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
An approach for evaluating and increasing the informational content of mutagenicity and clastogenicity data bases.
Mutagenesis 8(3) , 257-64, (1993) A method is described for using the fragments identified by the CASE structure-activity relational expert system to identify the type of chemicals that require further testing in mutagenicity and clas... |
|
|
Colorimetric detection of achiral anions and chiral carboxylates by a chiral thiourea-phthalimide dyad.
Photochem. Photobiol. Sci. 9(10) , 1385-90, (2010) The chiral chemosensor 1, based on a thiourea-activated phthalimide, is available by four reaction steps from 4-nitrophthalimide. 1 detects fluoride, chloride, acetate, and dihydrogen phosphate anions... |
|
|
Design, synthesis and protection against pentylenetetrazole-induced seizure of N-aryl derivatives of the phthalimide pharmacophore.
Med. Chem. 8(5) , 953-63, (2012) A series of compounds including N-aryl substituents of phthalimide and 4-nitrophthalimide were synthesized and evaluated for their anticonvulsant properties. The in vivo screening data suggest that al... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Nitrophthalimide |
| 4-nitro-phthalimid |
| 5-NITROPHTHALIMIDE |
| 4-Nitrophtalimide |
| 5-Nitro-1H-isoindole-1,3(2H)-dione |
| 3-nitrophthalimide |
| 4-Nirtophthalimide |
| 5-Nitroisoindoline-1,3-dione |
| 5-Nitro-isoindolin-1,3-dion |
| 4-nitro-phthalimide |
| 5-nitrosoindoline-1,3-dione |
| EINECS 201-905-5 |
| 5-nitro-isoindole-1,3-dione |
| P-NITRO-PHTHALIMIDE |
| PHTHALIMIDE,4-NITRO |
| MFCD00005884 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-Nitrophthalimide? |
| A: Related downstream products(CAS) of 4-Nitrophthalimide: 3816-62-4;3558-13-2;3558-19-8;3676-85-5;140715-56-6;140715-57-7;40392-27-6;41663-84-7;3682-19-7;64169-34-2. |
| Q: What is the LogP of 4-Nitrophthalimide? |
| A: LogP of 4-Nitrophthalimide is 0.88. |
| Q: What English synonyms does 4-Nitrophthalimide have? |
| A: English synonyms of 4-Nitrophthalimide: 4-Nitrophthalimide, 4-nitro-phthalimid, 5-NITROPHTHALIMIDE, 4-Nitrophtalimide, 5-Nitro-1H-isoindole-1,3(2H)-dione, 3-nitrophthalimide, 4-Nirtophthalimide, 5-Nitroisoindoline-1,3-dione, 5-Nitro-isoindolin-1,3-dion, 4-nitro-phthalimide, 5-nitrosoindoline-1,3-dione, EINECS 201-905-5, 5-nitro-isoindole-1,3-dione, P-NITRO-PHTHALIMIDE, PHTHALIMIDE,4-NITRO, MFCD00005884. |
| Q: What is the SMILES notation of 4-Nitrophthalimide? |
| A: SMILES notation of 4-Nitrophthalimide is O=C1NC(=O)c2cc([N+](=O)[O-])ccc21. |
| Q: What is the molecular weight of 4-Nitrophthalimide? |
| A: Molecular weight of 4-Nitrophthalimide is 192.128. |
| Q: What is the CAS number of 4-Nitrophthalimide? |
| A: CAS number of 4-Nitrophthalimide is 89-40-7. |
| Q: What is the safety information for 4-Nitrophthalimide? |
| A: Safety information for 4-Nitrophthalimide: S37/39-S26. |
| Q: What are the upstream materials of 4-Nitrophthalimide? |
| A: Related upstream materials(CAS) of 4-Nitrophthalimide: 5466-84-2;105969-98-0;610-27-5;2516-96-3;85-44-9;46053-72-9;13138-53-9. |
| Q: How is the water solubility of 4-Nitrophthalimide? |
| A: Water solubility of 4-Nitrophthalimide: <0.01 g/100 mL at 18 ºC. |
| Q: What is the InChIKey of 4-Nitrophthalimide? |
| A: InChIKey of 4-Nitrophthalimide is ANYWGXDASKQYAD-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |