2-Bromo-3-methylbenzonitrile
2-Bromo-3-methylbenzonitrile structure
|
Common Name | 2-Bromo-3-methylbenzonitrile | ||
|---|---|---|---|---|
| CAS Number | 263159-64-4 | Molecular Weight | 196.044 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 286.8±28.0 °C at 760 mmHg | |
| Molecular Formula | C8H6BrN | Melting Point | 67-71ºC | |
| MSDS | Chinese USA | Flash Point | 127.3±24.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Bromo-3-methylbenzonitrile |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 286.8±28.0 °C at 760 mmHg |
| Melting Point | 67-71ºC |
| Molecular Formula | C8H6BrN |
| Molecular Weight | 196.044 |
| Flash Point | 127.3±24.0 °C |
| Exact Mass | 194.968353 |
| PSA | 23.79000 |
| LogP | 2.69 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.591 |
| InChIKey | RNHZLKDKPMISMY-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C#N)c1Br |
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-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R22 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
2-Bromo-3-methy... CAS#:263159-64-4 |
| Literature: PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ; Location in patent: Page/Page column 226 ; |
|
~83%
2-Bromo-3-methy... CAS#:263159-64-4 |
| Literature: Sebo, Lubomir; Schweizer, Bernd; Diederich, Francois Helvetica Chimica Acta, 2000 , vol. 83, # 1 p. 80 - 92 |
|
~%
2-Bromo-3-methy... CAS#:263159-64-4 |
| Literature: PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
![[3-cyano-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate structure](https://image.chemsrc.com/caspic/461/1269411-17-7.png)
CAS#:1269411-17-7
CAS#:446864-55-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Bromo-3-methylbenzonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-Bromo-3-methylbenzonitrile have? |
| A: English synonyms of 2-Bromo-3-methylbenzonitrile: 2-Bromo-3-methylbenzonitrile. |
| Q: What is the CAS number of 2-Bromo-3-methylbenzonitrile? |
| A: CAS number of 2-Bromo-3-methylbenzonitrile is 263159-64-4. |
| Q: What are the downstream products of 2-Bromo-3-methylbenzonitrile? |
| A: Related downstream products(CAS) of 2-Bromo-3-methylbenzonitrile: 1269411-17-7;446864-55-7. |
| Q: What is the polar surface area (PSA) of 2-Bromo-3-methylbenzonitrile? |
| A: Polar surface area (PSA) of 2-Bromo-3-methylbenzonitrile is 23.79000. |
| Q: What is the English name of 2-Bromo-3-methylbenzonitrile? |
| A: The English name of 2-Bromo-3-methylbenzonitrile is 2-Bromo-3-methylbenzonitrile. |
| Q: What is the molecular weight of 2-Bromo-3-methylbenzonitrile? |
| A: Molecular weight of 2-Bromo-3-methylbenzonitrile is 196.044. |
| Q: What is the LogP of 2-Bromo-3-methylbenzonitrile? |
| A: LogP of 2-Bromo-3-methylbenzonitrile is 2.69. |
| Q: What are the upstream materials of 2-Bromo-3-methylbenzonitrile? |
| A: Related upstream materials(CAS) of 2-Bromo-3-methylbenzonitrile: 101421-85-6;54879-20-8;143-33-9;53663-39-1. |
| Q: What is the melting point of 2-Bromo-3-methylbenzonitrile? |
| A: Melting point of 2-Bromo-3-methylbenzonitrile is 67-71ºC. |
| Q: What is the SMILES notation of 2-Bromo-3-methylbenzonitrile? |
| A: SMILES notation of 2-Bromo-3-methylbenzonitrile is Cc1cccc(C#N)c1Br. |
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. |