3,4-dimethylphenyl isocyanate
3,4-dimethylphenyl isocyanate structure
|
Common Name | 3,4-dimethylphenyl isocyanate | ||
|---|---|---|---|---|
| CAS Number | 51163-27-0 | Molecular Weight | 147.17400 | |
| Density | 1.051 | Boiling Point | 85ºC2 mm Hg(lit.) | |
| Molecular Formula | C9H9NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 198 °F | |
Summary: 3,4-dimethylphenyl isocyanate (CAS号：51163-27-0) is an organic compound with molecular formula C9H9NO and molecular weight 147.17400, density 1.051, and boiling point 85ºC (2 mm Hg). 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 | 3,4-dimethylphenyl 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 | 1.051 |
|---|---|
| Boiling Point | 85ºC2 mm Hg(lit.) |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.17400 |
| Flash Point | 198 °F |
| Exact Mass | 147.06800 |
| PSA | 29.43000 |
| LogP | 2.27070 |
| Index of Refraction | n20/D 1.536(lit.) |
| InChIKey | AYCDBMRVKSXYKW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N=C=O)cc1C |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| Risk Phrases | R23/25;R36/37/38;R42 |
| Safety Phrases | S23-S26-S36/37/39-S45 |
| RIDADR | UN 2206 6.1/PG 2 |
| 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.
|
~69%
3,4-dimethylphe... CAS#:51163-27-0 |
| Literature: Yu; Holloway; Flippen-Anderson; Hoffman; Brossi; Greig Journal of Medicinal Chemistry, 2001 , vol. 44, # 24 p. 4062 - 4071 |
|
~%
3,4-dimethylphe... CAS#:51163-27-0 |
| Literature: Bakshi, Pancham; Jin, Chao; Broutin, Pierre; Berhane, Beniam; Reed, Jon; Mullan, Michael Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 23 p. 8102 - 8112 |
|
~%
3,4-dimethylphe... CAS#:51163-27-0 |
| Literature: Zhao, Yan-Fang; Liu, Zi-Jian; Zhai, Xin; Ge, Dan-Dan; Huang, Qiang; Gong, Ping Chinese Chemical Letters, 2013 , vol. 24, # 5 p. 386 - 388 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:86781-22-8
CAS#:88451-13-2This 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-1,2-dimethylbenzene |
| 3,4-Dimethylphenyl isocyanate |
| MFCD00013867 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 3,4-dimethylphenyl isocyanate? |
| A: Related upstream materials(CAS) of 3,4-dimethylphenyl isocyanate: 75-44-5;7356-54-9;95-64-7;32315-10-9. |
| Q: What is the LogP of 3,4-dimethylphenyl isocyanate? |
| A: LogP of 3,4-dimethylphenyl isocyanate is 2.27070. |
| Q: What is the boiling point of 3,4-dimethylphenyl isocyanate? |
| A: Boiling point of 3,4-dimethylphenyl isocyanate is 85ºC2 mm Hg(lit.). |
| Q: What are the downstream products of 3,4-dimethylphenyl isocyanate? |
| A: Related downstream products(CAS) of 3,4-dimethylphenyl isocyanate: 86781-22-8;88451-13-2. |
| Q: What is the CAS number of 3,4-dimethylphenyl isocyanate? |
| A: CAS number of 3,4-dimethylphenyl isocyanate is 51163-27-0. |
| Q: What is the English name of 3,4-dimethylphenyl isocyanate? |
| A: The English name of 3,4-dimethylphenyl isocyanate is 3,4-dimethylphenyl isocyanate. |
| Q: What are the storage conditions for 3,4-dimethylphenyl isocyanate? |
| A: Storage conditions for 3,4-dimethylphenyl isocyanate: 2-8°C. |
| Q: What English synonyms does 3,4-dimethylphenyl isocyanate have? |
| A: English synonyms of 3,4-dimethylphenyl isocyanate: 4-isocyanato-1,2-dimethylbenzene, 3,4-Dimethylphenyl isocyanate, MFCD00013867. |
| Q: What is the InChIKey of 3,4-dimethylphenyl isocyanate? |
| A: InChIKey of 3,4-dimethylphenyl isocyanate is AYCDBMRVKSXYKW-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3,4-dimethylphenyl isocyanate? |
| A: Molecular weight of 3,4-dimethylphenyl isocyanate is 147.17400. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |