(3-Chloro-1-propyn-1-yl)benzene
(3-Chloro-1-propyn-1-yl)benzene structure
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Common Name | (3-Chloro-1-propyn-1-yl)benzene | ||
|---|---|---|---|---|
| CAS Number | 3355-31-5 | Molecular Weight | 150.605 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 221.0±23.0 °C at 760 mmHg | |
| Molecular Formula | C9H7Cl | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 82.9±18.0 °C | |
Summary: 1-Phenyl-3-chloro-1-propyne (3-Chloroprop-1-ynylbenzene, CAS: 3355-31-5), molecular formula C9H7Cl, molecular weight 150.605, appears as a colorless to yellow liquid, boiling point 221.0±23.0 °C, density 1.1±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 | 3-chloroprop-1-ynylbenzene |
|---|---|
| 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 | 221.0±23.0 °C at 760 mmHg |
| Molecular Formula | C9H7Cl |
| Molecular Weight | 150.605 |
| Flash Point | 82.9±18.0 °C |
| Exact Mass | 150.023621 |
| LogP | 3.35 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.562 |
| InChIKey | RMPSZEZJKSUNKR-UHFFFAOYSA-N |
| SMILES | ClCC#Cc1ccccc1 |
| Storage condition | 2~8℃ |
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.
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36 |
| HS Code | 2901100000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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| Literature: Vanos, Christine M.; Lambert, Tristan H. Angewandte Chemie - International Edition, 2011 , vol. 50, # 51 p. 12222 - 12226 |
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| Literature: US5604229 A1, ; |
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| Literature: Journal of Organic Chemistry, , vol. 70, # 7 p. 2594 - 2597 |
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| Literature: Journal of Organometallic Chemistry, , vol. 288, p. 349 - 358 |
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(3-Chloro-1-pro... CAS#:3355-31-5 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 2357 - 2364 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 10 | |
CAS#:2568-57-2
CAS#:13061-75-1
CAS#:305837-95-0
CAS#:156897-06-2
CAS#:37124-88-2
CAS#:133111-56-5
CAS#:2327-99-3
CAS#:73513-15-2![9-Phenylnaphtho[2,3-c]furan-1(3H)-one structure](https://image.chemsrc.com/caspic/478/10568-29-3.png)
CAS#:10568-29-3![4-phenyl-3H-benzo[f][2]benzofuran-1-one structure](https://image.chemsrc.com/caspic/260/50558-51-5.png)
CAS#:50558-51-5This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3-Chloro-1-propyn-1-yl)benzene |
| 3-Chloro-1-phenyl-1-propyne |
| 1-Chloro-3-phenyl-2-propyne |
| 1-PHENYL-3-CHLORO-1-PROPYNE |
| phenylpropargyl chloride |
| MFCD06411085 |
| 1-phenyl-3-chloropropyne |
| 3-Phenylpropargyl chloride |
| 1-Phenyl-3-chloro-1-propyn |
| (3-chloroprop-1-yn-1-yl)benzene |
| 3-Phenyl-2-propynyl chloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-chloroprop-1-ynylbenzene? |
| A: Molecular weight of 3-chloroprop-1-ynylbenzene is 150.605. |
| Q: What are the upstream materials of 3-chloroprop-1-ynylbenzene? |
| A: Related upstream materials(CAS) of 3-chloroprop-1-ynylbenzene: 1504-58-1;98-59-9;536-74-3;67242-58-4;50-00-0. |
| Q: What are the downstream products of 3-chloroprop-1-ynylbenzene? |
| A: Related downstream products(CAS) of 3-chloroprop-1-ynylbenzene: 2568-57-2;13061-75-1;305837-95-0;156897-06-2;37124-88-2;133111-56-5;2327-99-3;73513-15-2;10568-29-3;50558-51-5. |
| Q: What is the CAS number of 3-chloroprop-1-ynylbenzene? |
| A: CAS number of 3-chloroprop-1-ynylbenzene is 3355-31-5. |
| Q: What is the molecular formula of 3-chloroprop-1-ynylbenzene? |
| A: Molecular formula of 3-chloroprop-1-ynylbenzene is C9H7Cl. |
| Q: What is the InChIKey of 3-chloroprop-1-ynylbenzene? |
| A: InChIKey of 3-chloroprop-1-ynylbenzene is RMPSZEZJKSUNKR-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-chloroprop-1-ynylbenzene have? |
| A: English synonyms of 3-chloroprop-1-ynylbenzene: (3-Chloro-1-propyn-1-yl)benzene, 3-Chloro-1-phenyl-1-propyne, 1-Chloro-3-phenyl-2-propyne, 1-PHENYL-3-CHLORO-1-PROPYNE, phenylpropargyl chloride, MFCD06411085, 1-phenyl-3-chloropropyne, 3-Phenylpropargyl chloride, 1-Phenyl-3-chloro-1-propyn, (3-chloroprop-1-yn-1-yl)benzene, 3-Phenyl-2-propynyl chloride. |
| Q: What is the LogP of 3-chloroprop-1-ynylbenzene? |
| A: LogP of 3-chloroprop-1-ynylbenzene is 3.35. |
| Q: What is the English name of 3-chloroprop-1-ynylbenzene? |
| A: The English name of 3-chloroprop-1-ynylbenzene is 3-chloroprop-1-ynylbenzene. |
| Q: What is the safety information for 3-chloroprop-1-ynylbenzene? |
| A: Safety information for 3-chloroprop-1-ynylbenzene: S26-S36. |
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. |