1-Bromo-2-ethynylbenzene
1-Bromo-2-ethynylbenzene structure
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Common Name | 1-Bromo-2-ethynylbenzene | ||
|---|---|---|---|---|
| CAS Number | 766-46-1 | Molecular Weight | 181.029 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 214.1±23.0 °C at 760 mmHg | |
| Molecular Formula | C8H5Br | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 87.2±17.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2-Bromophenylacetylene (1-Bromo-2-ethynylbenzene), CAS号 766-46-1, has a molecular formula of C8H5Br and a molecular weight of 181.029. It appears as a colorless oil with a boiling point of 214.1±23.0 °C and a density of 1.5±0.1 g/cm3. 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-Bromophenylacetylene |
|---|---|
| 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 | 214.1±23.0 °C at 760 mmHg |
| Molecular Formula | C8H5Br |
| Molecular Weight | 181.029 |
| Flash Point | 87.2±17.0 °C |
| Exact Mass | 179.957458 |
| LogP | 3.17 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.605 |
| InChIKey | RVDOYUFNRDGYGU-UHFFFAOYSA-N |
| SMILES | C#Cc1ccccc1Br |
| Stability | Light and Temperature Sensitive. |
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 | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 3 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Alabugin, Igor V.; Gilmore, Kerry; Patil, Satish; Manoharan, Mariappan; Kovalenko, Serguei V.; Clark, Ronald J.; Ghiviriga, Ion Journal of the American Chemical Society, 2008 , vol. 130, # 34 p. 11535 - 11545 |
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~96%
1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Arican, Deniz; Brueckner, Reinhard Organic Letters, 2013 , vol. 15, # 11 p. 2582 - 2585 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Angewandte Chemie, , vol. 98, # 3 p. 268 - 270 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Journal of the American Chemical Society, , vol. 127, # 10 p. 3406 - 3412 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Tetrahedron, , vol. 62, # 28 p. 6673 - 6680 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Bulletin de la Societe Chimique de France, , vol. 134, # 3-4 p. 307 - 314 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Chinese Journal of Chemistry, , vol. 29, # 11 p. 2350 - 2354 |
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1-Bromo-2-ethyn... CAS#:766-46-1 |
| Literature: Tetrahedron Letters, , vol. 22, # 26 p. 2495 - 2496 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:7469-77-4
CAS#:13049-35-9![Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro structure](https://image.chemsrc.com/caspic/246/36398-39-7.png)
CAS#:36398-39-7
CAS#:2039-88-5
CAS#:2142-69-0
CAS#:18442-29-0
CAS#:27884-09-9
CAS#:1370697-50-9
CAS#:6938-39-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Z-Shaped Pentaleno-Acene Dimers with High Stability and Small Band Gap. Dai G, et al.
Angew. Chem. Weinheim Bergstr. Ger. 128(8) , 2743-2746, (2016)
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Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation. Barrett MJ, et al.
Org. Biomol. Chem. 13(32) , 8676-8686, (2015)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Bromo-2-ethynylbenzene |
| MFCD01863358 |
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-Bromophenylacetylene? |
| A: SMILES notation of 2-Bromophenylacetylene is C#Cc1ccccc1Br. |
| Q: What English synonyms does 2-Bromophenylacetylene have? |
| A: English synonyms of 2-Bromophenylacetylene: 1-Bromo-2-ethynylbenzene, MFCD01863358. |
| Q: What is the CAS number of 2-Bromophenylacetylene? |
| A: CAS number of 2-Bromophenylacetylene is 766-46-1. |
| Q: What is the boiling point of 2-Bromophenylacetylene? |
| A: Boiling point of 2-Bromophenylacetylene is 214.1±23.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2-Bromophenylacetylene? |
| A: InChIKey of 2-Bromophenylacetylene is RVDOYUFNRDGYGU-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-Bromophenylacetylene? |
| A: Related upstream materials(CAS) of 2-Bromophenylacetylene: 38274-16-7;90965-06-3;6630-33-7;583-55-1;1066-54-2;18982-54-2;583-53-9;7345-79-1;79092-33-4. |
| Q: What are the downstream products of 2-Bromophenylacetylene? |
| A: Related downstream products(CAS) of 2-Bromophenylacetylene: 38274-16-7;7469-77-4;13049-35-9;36398-39-7;2039-88-5;2142-69-0;18442-29-0;27884-09-9;1370697-50-9;6938-39-2. |
| Q: What is the safety information for 2-Bromophenylacetylene? |
| A: Safety information for 2-Bromophenylacetylene: S26-S36. |
| Q: What is the molecular formula of 2-Bromophenylacetylene? |
| A: Molecular formula of 2-Bromophenylacetylene is C8H5Br. |
| Q: What is the English name of 2-Bromophenylacetylene? |
| A: The English name of 2-Bromophenylacetylene is 2-Bromophenylacetylene. |
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. |