5-bromo-2-isocyanato-1,3-dimethylbenzene
5-bromo-2-isocyanato-1,3-dimethylbenzene structure
|
Common Name | 5-bromo-2-isocyanato-1,3-dimethylbenzene | ||
|---|---|---|---|---|
| CAS Number | 77159-76-3 | Molecular Weight | 226.07000 | |
| Density | 1.39g/cm3 | Boiling Point | 280.5ºC at 760 mmHg | |
| Molecular Formula | C9H8BrNO | Melting Point | 62-64ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 123.5ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-bromo-2-isocyanato-1,3-dimethylbenzene |
|---|---|
| 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 | 1.39g/cm3 |
|---|---|
| Boiling Point | 280.5ºC at 760 mmHg |
| Melting Point | 62-64ºC(lit.) |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.07000 |
| Flash Point | 123.5ºC |
| Exact Mass | 224.97900 |
| PSA | 29.43000 |
| LogP | 3.03320 |
| Index of Refraction | 1.563 |
| InChIKey | XGBDVSJAHTYSBK-UHFFFAOYSA-N |
| SMILES | Cc1cc(Br)cc(C)c1N=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: Harmful; |
| Risk Phrases | R23/25;R36/37/38;R42 |
| Safety Phrases | S22-S26-S36/37/39-S45 |
| RIDADR | UN 2206 |
| 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.
|
~73%
5-bromo-2-isocy... CAS#:77159-76-3 |
| Literature: Tietz, Helmuth; Unverferth, Klaus; Schwetlick, Klaus Zeitschrift fuer Chemie (Stuttgart, Germany), 1980 , vol. 20, # 8 p. 295 - 296 |
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.
| MFCD00037040 |
| 2,6-Dimethyl-4-bromphenylisocyanat |
| 4-Bromo-2,6-dimethylphenyl isocyanate |
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 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: SMILES notation of 5-bromo-2-isocyanato-1,3-dimethylbenzene is Cc1cc(Br)cc(C)c1N=C=O. |
| Q: What is the molecular weight of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: Molecular weight of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 226.07000. |
| Q: What is the CAS number of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: CAS number of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 77159-76-3. |
| Q: What is the boiling point of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: Boiling point of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 280.5ºC at 760 mmHg. |
| Q: What English synonyms does 5-bromo-2-isocyanato-1,3-dimethylbenzene have? |
| A: English synonyms of 5-bromo-2-isocyanato-1,3-dimethylbenzene: MFCD00037040, 2,6-Dimethyl-4-bromphenylisocyanat, 4-Bromo-2,6-dimethylphenyl isocyanate. |
| Q: What is the LogP of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: LogP of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 3.03320. |
| Q: What is the molecular formula of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: Molecular formula of 5-bromo-2-isocyanato-1,3-dimethylbenzene is C9H8BrNO. |
| Q: What is the polar surface area (PSA) of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: Polar surface area (PSA) of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 29.43000. |
| Q: What is the InChIKey of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: InChIKey of 5-bromo-2-isocyanato-1,3-dimethylbenzene is XGBDVSJAHTYSBK-UHFFFAOYSA-N. |
| Q: What is the melting point of 5-bromo-2-isocyanato-1,3-dimethylbenzene? |
| A: Melting point of 5-bromo-2-isocyanato-1,3-dimethylbenzene is 62-64ºC(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |