HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloropropanethiol
3-CHLOROPROPANETHIOL · 3-Chloropropane-1-thiol · Einecs 241-496-0 · 3-Chloropropan-1-thiol · 3-CHLORO-1-PROPANETHIOL · 1-Propanethiol, 3-chloro- · 3-Chloro-1-propanethiol 98% · 1-Propanethiol, 3-chloro- (8CI,9CI)
Identifiers & Physical Properties
| CAS No. | 17481-19-5 |
|---|---|
| Molecular formula | C3H7ClS |
| Average molar mass | 110.61 g/mol |
| Monoisotopic mass | 109.9956989 g/mol |
| SMILES | SCCCCl |
| InChIKey | TZCFWOHAWRIQGF-UHFFFAOYSA-N |
| PubChem CID | 87134 |
| EC No. | 241-496-0 |
| DTXSID | DTXSID20169901 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 16.4 |
| Chemical classes | Other Classes -> Thiols |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Boiling point | 145.5 °C (lit.) |
| Density | 1.136 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.4921(lit.) |
| Flash point | 110 °F |
| pKa (acidity coefficient) | 10.04±0.10(Predicted) |
| Physical state | liquid |
| InChI | 1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2 |
| InChIKey | TZCFWOHAWRIQGF-UHFFFAOYSA-N |
| SMILES | SCCCCl |
| FDA UNII | N6Q6DV6SQL |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-26-36/37/39 |
| UN transport number | UN 3336 3/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard class | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | 1-Propanethiol, 3-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | May cause irritation[Sigma-Aldrich MSDS] See 1-Propanethiol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Adverse effects | Other Poison - Chemical Asphyxiant |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3336 3/PG 2 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 16-26-36/37/39 |
| Hazard class | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H315-H319-H335 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Solution-Phase Hybrid Passivation: 3-Chloro-1-propanethiolis used in the passivation of quantum dots to enhance the performance of infrared-band gap quantum dot solar cells, suggesting significant improvements in efficiency and stability (Mahajan et al., 2020).