5-Bromoisophthalonitrile
5-Bromoisophthalonitrile structure
|
Common Name | 5-Bromoisophthalonitrile | ||
|---|---|---|---|---|
| CAS Number | 160892-07-9 | Molecular Weight | 207.027 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 256.8±20.0 °C at 760 mmHg | |
| Molecular Formula | C8H3BrN2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 109.1±21.8 °C | |
Summary: 5-Bromoisophthalonitrile (Chinese name: 5-溴-1,3-苯二腈, CAS number: 160892-07-9), molecular formula C8H3BrN2, molecular weight 207.027, density 1.7±0.1 g/cm3, boiling point 256.8±20.0 °C. 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 | 5-Bromoisophthalonitrile |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 256.8±20.0 °C at 760 mmHg |
| Molecular Formula | C8H3BrN2 |
| Molecular Weight | 207.027 |
| Flash Point | 109.1±21.8 °C |
| Exact Mass | 205.947952 |
| PSA | 47.58000 |
| LogP | 1.02 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.626 |
| InChIKey | KEODZYDOBHDZOT-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1C#N)Br)C#N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~74%
5-Bromoisophtha... CAS#:160892-07-9 |
| Literature: IDEMITSU KOSAN CO., LTD. Patent: EP1640365 A1, 2006 ; Location in patent: Page/Page column 65 ; |
|
~86%
5-Bromoisophtha... CAS#:160892-07-9 |
| Literature: Doyle, Timothy J.; Haseltine, John Journal of Heterocyclic Chemistry, 1994 , vol. 31, # 6 p. 1417 - 1420 |
|
~%
5-Bromoisophtha... CAS#:160892-07-9 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 31, # 6 p. 1417 - 1420 |
|
~%
5-Bromoisophtha... CAS#:160892-07-9 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 31, # 6 p. 1417 - 1420 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:820231-68-3
CAS#:863868-34-2This 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.
| 5-bromobenzene-1,3-dicarbonitrile |
| 5-Bromoisophthalonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 5-Bromoisophthalonitrile? |
| A: Polar surface area (PSA) of 5-Bromoisophthalonitrile is 47.58000. |
| Q: What is the English name of 5-Bromoisophthalonitrile? |
| A: The English name of 5-Bromoisophthalonitrile is 5-Bromoisophthalonitrile. |
| Q: What is the molecular formula of 5-Bromoisophthalonitrile? |
| A: Molecular formula of 5-Bromoisophthalonitrile is C8H3BrN2. |
| Q: What English synonyms does 5-Bromoisophthalonitrile have? |
| A: English synonyms of 5-Bromoisophthalonitrile: 5-bromobenzene-1,3-dicarbonitrile, 5-Bromoisophthalonitrile. |
| Q: What is the CAS number of 5-Bromoisophthalonitrile? |
| A: CAS number of 5-Bromoisophthalonitrile is 160892-07-9. |
| Q: What is the molecular weight of 5-Bromoisophthalonitrile? |
| A: Molecular weight of 5-Bromoisophthalonitrile is 207.027. |
| Q: What is the SMILES notation of 5-Bromoisophthalonitrile? |
| A: SMILES notation of 5-Bromoisophthalonitrile is C1=C(C=C(C=C1C#N)Br)C#N. |
| Q: What is the InChIKey of 5-Bromoisophthalonitrile? |
| A: InChIKey of 5-Bromoisophthalonitrile is KEODZYDOBHDZOT-UHFFFAOYSA-N. |
| Q: What are the downstream products of 5-Bromoisophthalonitrile? |
| A: Related downstream products(CAS) of 5-Bromoisophthalonitrile: 820231-68-3;863868-34-2. |
| Q: What is the LogP of 5-Bromoisophthalonitrile? |
| A: LogP of 5-Bromoisophthalonitrile is 1.02. |
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. |