1-isocyanato-2-methyl-4-nitrobenzene
1-isocyanato-2-methyl-4-nitrobenzene structure
|
Common Name | 1-isocyanato-2-methyl-4-nitrobenzene | ||
|---|---|---|---|---|
| CAS Number | 56309-59-2 | Molecular Weight | 178.14500 | |
| Density | 1.27g/cm3 | Boiling Point | 168ºC(23 torr) | |
| Molecular Formula | C8H6N2O3 | Melting Point | 81-84ºC | |
| 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 | 1-isocyanato-2-methyl-4-nitrobenzene |
|---|---|
| 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 | 1.27g/cm3 |
|---|---|
| Boiling Point | 168ºC(23 torr) |
| Melting Point | 81-84ºC |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.14500 |
| Exact Mass | 178.03800 |
| PSA | 75.25000 |
| LogP | 2.39370 |
| Index of Refraction | 1.578 |
| InChIKey | FZCFUPBIPMLIPI-UHFFFAOYSA-N |
| SMILES | Cc1cc([N+](=O)[O-])ccc1N=C=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn |
| Risk Phrases | R20/21/22;R36/37/38;R42 |
| Safety Phrases | S22-S26-S36/37/39-S45 |
| RIDADR | UN 2811 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2929109000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~90%
1-isocyanato-2-... CAS#:56309-59-2 |
| Literature: Thaning, Mikkel; Gram, Karl Andreas Patent: US2008/292551 A1, 2008 ; Title/Abstract Full Text Show Details Lerche, Mathilde H.; Karlsson, Magnus Patent: US2010/233096 A1, 2010 ; |
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~%
1-isocyanato-2-... CAS#:56309-59-2 |
| Literature: WO2005/111029 A1, ; Page/Page column 228 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-isocyanato-3-methyl-1-nitro-benzene |
| MFCD00014704 |
| 2-Methyl-4-nitro-phenylisocyanat |
| 2-methyl-4-nitrobenzenisocyanate |
| 4-Nitro-2-methyl-phenylcarbonimid |
| 2-Methyl-4-nitrophenyl isocyanate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: InChIKey of 1-isocyanato-2-methyl-4-nitrobenzene is FZCFUPBIPMLIPI-UHFFFAOYSA-N. |
| Q: What is the LogP of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: LogP of 1-isocyanato-2-methyl-4-nitrobenzene is 2.39370. |
| Q: What is the polar surface area (PSA) of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: Polar surface area (PSA) of 1-isocyanato-2-methyl-4-nitrobenzene is 75.25000. |
| Q: What is the melting point of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: Melting point of 1-isocyanato-2-methyl-4-nitrobenzene is 81-84ºC. |
| Q: What English synonyms does 1-isocyanato-2-methyl-4-nitrobenzene have? |
| A: English synonyms of 1-isocyanato-2-methyl-4-nitrobenzene: 4-isocyanato-3-methyl-1-nitro-benzene, MFCD00014704, 2-Methyl-4-nitro-phenylisocyanat, 2-methyl-4-nitrobenzenisocyanate, 4-Nitro-2-methyl-phenylcarbonimid, 2-Methyl-4-nitrophenyl isocyanate. |
| Q: What is the molecular formula of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: Molecular formula of 1-isocyanato-2-methyl-4-nitrobenzene is C8H6N2O3. |
| Q: What is the boiling point of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: Boiling point of 1-isocyanato-2-methyl-4-nitrobenzene is 168ºC(23 torr). |
| Q: What is the molecular weight of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: Molecular weight of 1-isocyanato-2-methyl-4-nitrobenzene is 178.14500. |
| Q: What is the SMILES notation of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: SMILES notation of 1-isocyanato-2-methyl-4-nitrobenzene is Cc1cc([N+](=O)[O-])ccc1N=C=O. |
| Q: What is the CAS number of 1-isocyanato-2-methyl-4-nitrobenzene? |
| A: CAS number of 1-isocyanato-2-methyl-4-nitrobenzene is 56309-59-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |