HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Chloropiperonyl chloride
LABOTEST-BB LT00233184 · 5-Chloro-6-(chloromethyl) · 6-Chloropiperonyl chloride · 6-Chloropiperonyl chloride,97% · 6-CHLOROPIPERONYL CHLORIDE 99+% · 6-Chloropiperonyl chloride, 97% 5GR · 6-CHLORO-3,4-METHYLENEDIOXYBENZYL CHLORI · 5-chloro-6-chloromethyl-1,3-benzodioxole
Identifiers & Physical Properties
| CAS No. | 23468-31-7 |
|---|---|
| Molecular formula | C8H6Cl2O2 |
| Average molar mass | 205.03 g/mol |
| Monoisotopic mass | 203.97448479 g/mol |
| SMILES | ClCc1cc2c(cc1Cl)OCO2 |
| InChIKey | APJKOQPCHGXQBI-UHFFFAOYSA-N |
| PubChem CID | 90113 |
| EC No. | 245-678-0 |
| DTXSID | DTXSID50178021 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 165 |
| Melting point | 64-66 °C(lit.) |
| Boiling point | 293.5±40.0 °C(Predicted) |
| Density | 1.461±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator (+4°C) |
| Physical state | powder |
| Solubility | Insoluble in water. |
| BRN | 150802 |
| InChI | 1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2 |
| InChIKey | APJKOQPCHGXQBI-UHFFFAOYSA-N |
| UNSPSC Code | 12352005 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard symbols | C |
| Risk statements (R) | 34-36/37 |
| Safety statements (S) | 26-27-28-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Skin Corr. 1B |
| Packing group | II |
| Customs code | 29329990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29329990 |
| Risk statements (R) | 34-36/37 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-27-28-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
6-Chloropiperonyl chloride is used as pharmaceutical intermediates.