2-Methoxy-5-methylphenyl isocyanate
2-Methoxy-5-methylphenyl isocyanate structure
|
Common Name | 2-Methoxy-5-methylphenyl isocyanate | ||
|---|---|---|---|---|
| CAS Number | 59741-04-7 | Molecular Weight | 163.17300 | |
| Density | 1.112 g/mL at 25 °C(lit.) | Boiling Point | 240 °C(lit.) | |
| Molecular Formula | C9H9NO2 | Melting Point | 25-26 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | >230 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2-Methoxy-5-methylphenyl isocyanate (Chinese name: 2-甲氧基-5-甲基苯基异氰酸酯，CAS: 59741-04-7), with molecular formula C9H9NO2 and molecular weight 163.17300. It is a liquid at room temperature, with a melting point of 25-26°C, boiling point of 240°C, and density of 1.112 g/mL. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Methoxy-5-methylphenyl isocyanate |
|---|---|
| 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 | 1.112 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 240 °C(lit.) |
| Melting Point | 25-26 °C(lit.) |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.17300 |
| Flash Point | >230 °F |
| Exact Mass | 163.06300 |
| PSA | 38.66000 |
| LogP | 1.97090 |
| Index of Refraction | n20/D 1.537(lit.) |
| InChIKey | IDOHLSFNBKNRRJ-UHFFFAOYSA-N |
| SMILES | COc1ccc(C)cc1N=C=O |
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,Xi |
| Risk Phrases | R20/22;R36/37/38;R42 |
| Safety Phrases | S26-S36 |
| RIDADR | 2206 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2929109000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
CAS#:75-44-5
CAS#:120-71-8This 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 lists relevant public references with title, journal and publication metadata for this compound.
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New N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl phenylcarbamate analogs as sigma2 receptor ligands: synthesis, in vitro characterization, and evaluation as PET imaging and chemosensitization agents.
Bioorg. Med. Chem. 17(3) , 1222-31, (2009) A series of N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl phenylcarbamate analogs were synthesized. Among them, WC-26 and WC-59 were identified as the most potent sigma(2) receptor ligands (K(i)=2.... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-isocyanato-1-methoxy-4-methylbenzene |
| MFCD00013869 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-Methoxy-5-methylphenyl isocyanate? |
| A: SMILES notation of 2-Methoxy-5-methylphenyl isocyanate is COc1ccc(C)cc1N=C=O. |
| Q: What is the molecular formula of 2-Methoxy-5-methylphenyl isocyanate? |
| A: Molecular formula of 2-Methoxy-5-methylphenyl isocyanate is C9H9NO2. |
| Q: What are the upstream materials of 2-Methoxy-5-methylphenyl isocyanate? |
| A: Related upstream materials(CAS) of 2-Methoxy-5-methylphenyl isocyanate: 75-44-5;120-71-8. |
| Q: What is the English name of 2-Methoxy-5-methylphenyl isocyanate? |
| A: The English name of 2-Methoxy-5-methylphenyl isocyanate is 2-Methoxy-5-methylphenyl isocyanate. |
| Q: What English synonyms does 2-Methoxy-5-methylphenyl isocyanate have? |
| A: English synonyms of 2-Methoxy-5-methylphenyl isocyanate: 2-isocyanato-1-methoxy-4-methylbenzene, MFCD00013869. |
| Q: What is the InChIKey of 2-Methoxy-5-methylphenyl isocyanate? |
| A: InChIKey of 2-Methoxy-5-methylphenyl isocyanate is IDOHLSFNBKNRRJ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-Methoxy-5-methylphenyl isocyanate? |
| A: Polar surface area (PSA) of 2-Methoxy-5-methylphenyl isocyanate is 38.66000. |
| Q: What is the melting point of 2-Methoxy-5-methylphenyl isocyanate? |
| A: Melting point of 2-Methoxy-5-methylphenyl isocyanate is 25-26 °C(lit.). |
| Q: What is the CAS number of 2-Methoxy-5-methylphenyl isocyanate? |
| A: CAS number of 2-Methoxy-5-methylphenyl isocyanate is 59741-04-7. |
| Q: What is the boiling point of 2-Methoxy-5-methylphenyl isocyanate? |
| A: Boiling point of 2-Methoxy-5-methylphenyl isocyanate is 240 °C(lit.). |
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. |