1-Ethynyl-2-fluorobenzene
1-Ethynyl-2-fluorobenzene structure
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Common Name | 1-Ethynyl-2-fluorobenzene | ||
|---|---|---|---|---|
| CAS Number | 766-49-4 | Molecular Weight | 120.124 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 149.3±23.0 °C at 760 mmHg | |
| Molecular Formula | C8H5F | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 26.3±15.7 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Ethynyl-2-fluorobenzene |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 149.3±23.0 °C at 760 mmHg |
| Molecular Formula | C8H5F |
| Molecular Weight | 120.124 |
| Flash Point | 26.3±15.7 °C |
| Exact Mass | 120.037529 |
| LogP | 2.45 |
| Vapour Pressure | 5.1±0.3 mmHg at 25°C |
| Index of Refraction | 1.516 |
| InChIKey | YFPQIXUNBPQKQR-UHFFFAOYSA-N |
| SMILES | C#Cc1ccccc1F |
| Storage condition | Refrigerator (+4°C) |
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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R10;R36/37/38 |
| Safety Phrases | S37/39-S26-S16-S36 |
| RIDADR | UN 1993 3/PG 3 |
| Hazard Class | 3.0 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Mal'Kina; Brandsma; Vasilevsky; Trofimov Synthesis, 1996 , # 5 p. 589 - 590 |
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~71%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Matveeva; Erin; Kurz Russian Journal of Organic Chemistry, 1997 , vol. 33, # 8 p. 1065 - 1067 |
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~%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496 |
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1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496 |
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1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496 |
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~%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Synthesis, , # 5 p. 589 - 590 |
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~%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Russian Journal of Organic Chemistry, , vol. 33, # 8 p. 1065 - 1067 |
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~%
1-Ethynyl-2-flu... CAS#:766-49-4 |
| Literature: Russian Journal of Organic Chemistry, , vol. 33, # 8 p. 1065 - 1067 |
![(Z)-1-[2-bromovinyl]-2-fluorobenzene structure](https://image.chemsrc.com/caspic/403/187463-12-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 8 | |
CAS#:50919-06-7
CAS#:75321-85-6
CAS#:445-28-3
CAS#:29778-27-6
CAS#:1645-20-1
CAS#:704-97-2
CAS#:52765-22-7This 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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Macromol. Chem. Phys. 196 , 1769, (1995)
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Tetrahedron Lett. 35 , 3689, (1994)
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Synthesis and Biological Evaluation of Novel 1, 2, 3-Triazolonucleotides. Glowacka IE, et al.
Arch. Pharm. (Weinheim) 346(4) , 278-291, (2013)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Ethynyl-2-fluorobenzene |
| MFCD00799540 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 1-Ethynyl-2-fluorobenzene have? |
| A: English synonyms of 1-Ethynyl-2-fluorobenzene: 1-Ethynyl-2-fluorobenzene, MFCD00799540. |
| Q: What is the CAS number of 1-Ethynyl-2-fluorobenzene? |
| A: CAS number of 1-Ethynyl-2-fluorobenzene is 766-49-4. |
| Q: What are the storage conditions for 1-Ethynyl-2-fluorobenzene? |
| A: Storage conditions for 1-Ethynyl-2-fluorobenzene: Refrigerator (+4°C). |
| Q: What is the LogP of 1-Ethynyl-2-fluorobenzene? |
| A: LogP of 1-Ethynyl-2-fluorobenzene is 2.45. |
| Q: What is the safety information for 1-Ethynyl-2-fluorobenzene? |
| A: Safety information for 1-Ethynyl-2-fluorobenzene: S37/39-S26-S16-S36. |
| Q: What are the downstream products of 1-Ethynyl-2-fluorobenzene? |
| A: Related downstream products(CAS) of 1-Ethynyl-2-fluorobenzene: 50919-06-7;75321-85-6;445-26-1;445-28-3;29778-27-6;1645-20-1;704-97-2;52765-22-7. |
| Q: What are the upstream materials of 1-Ethynyl-2-fluorobenzene? |
| A: Related upstream materials(CAS) of 1-Ethynyl-2-fluorobenzene: 178173-84-7;394-46-7;445-26-1;446-52-6;1072-85-1;18944-77-9;342-19-8. |
| Q: What is the molecular weight of 1-Ethynyl-2-fluorobenzene? |
| A: Molecular weight of 1-Ethynyl-2-fluorobenzene is 120.124. |
| Q: What is the SMILES notation of 1-Ethynyl-2-fluorobenzene? |
| A: SMILES notation of 1-Ethynyl-2-fluorobenzene is C#Cc1ccccc1F. |
| Q: What is the InChIKey of 1-Ethynyl-2-fluorobenzene? |
| A: InChIKey of 1-Ethynyl-2-fluorobenzene is YFPQIXUNBPQKQR-UHFFFAOYSA-N. |
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. |