HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(2-Chlorophenyl)furfural
AKOS B019753 · AKOS BAR-0550 · AURORA KA-4220 · ASISCHEM N39057 · TIMTEC-BB SBB000462 · 5-(2-Chlorophenyl)furfural · 5-(2-Chlorophenyl)furfural 95% · 5-(2-CHLOROPHENYL)-2-FURALDEHYDE

Identifiers & Physical Properties
| CAS No. | 34035-04-6 |
|---|---|
| Molecular formula | C11H7ClO2 |
| Average molar mass | 206.62 g/mol |
| Monoisotopic mass | 206.01345714 g/mol |
| SMILES | O=Cc1ccc(-c2ccccc2Cl)o1 |
| InChIKey | ONQOZTFAOFZDFK-UHFFFAOYSA-N |
| PubChem CID | 609821 |
| ChEMBL | CHEMBL4455950 |
| EC No. | 622-983-0 |
| DTXSID | DTXSID90346121 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 207 |
| Melting point | 68-72 °C (lit.) |
| Boiling point | 333.3±32.0 °C(Predicted) |
| Density | 1.282±0.06 g/cm3(Predicted) |
| InChI | 1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H |
| InChIKey | ONQOZTFAOFZDFK-UHFFFAOYSA-N |
| SMILES | Clc1ccccc1-c2ccc(C=O)o2 |
| CAS DataBase Reference | 34035-04-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29321900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
5-(2-Chlorophenyl)furfural was used as one of the aldehydes in the synthesis of the uridine-based library.
General Description
5-(2-Chlorophenyl)furfural is a furfural derivative.