HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Cyclopentylpropionyl chloride
3-CYCLOPENTYLPROPIONYL CHLORIDE · CYCLOPENTANEPROPIONYL CHLORIDE · SKL1200 · AKOS BBS-00003910 · Cyclopentylpropionyl chloride · Cyelopentylpropionyl chloride · 3-CYCLOPENTYL PROPOYL CHLORIDE · Cyclopentanepropanoyl-chloride-

Identifiers & Physical Properties
| CAS No. | 104-97-2 |
|---|---|
| Molecular formula | C8H13ClO |
| Average molar mass | 160.64 g/mol |
| Monoisotopic mass | 160.06549272 g/mol |
| SMILES | O=C(Cl)CCC1CCCC1 |
| InChIKey | SZQVEGOXJYTLLB-UHFFFAOYSA-N |
| PubChem CID | 66039 |
| EC No. | 203-257-9 |
| DTXSID | DTXSID00146210 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 116 |
| Boiling point | 199-200 °C(lit.) |
| Density | 1.049 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.464(lit.) |
| Flash point | 184 °F |
| Physical state | liquid |
| Sensitivity | Moisture Sensitive |
| BRN | 1856952 |
| InChI | InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2 |
| InChIKey | SZQVEGOXJYTLLB-UHFFFAOYSA-N |
| SMILES | C1(CCC(Cl)=O)CCCC1 |
| CAS DataBase Reference | 104-97-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Cyclopentylpropionyl chloride(104-97-2) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H227-H318-H314 |
| GHS precautionary statements | P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34-37 |
| Safety statements (S) | 26-36/37/39-45-27 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 10-21 |
| Hazard class | 8Skin Corr. 1B |
| Packing group | II |
| Customs code | 2914790090 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 19-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/225273-Cyclopentyl propionyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-21 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 2914790090 |
| Risk statements (R) | 34-37 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45-27 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H227-H318-H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
Cyclopentanepropionyl chloride was used in the synthesis of 3-cyclopentylpropanamido)methylboronic acid.
Uses
3-Cyclopentylpropionyl Chloride is an synthetic intermediate in the synthesis of new family of type 3 17β-Hydroxysteroid dehydrogenase inhibitors.