HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4-pyridinecarboxaldehyde
2-chloro-3-forMylpyridine-4-carboxylic acid · oroisonicotinaL · BUTTPARK 154\50-03 · TIMTEC-BB SBB004156 · 2-Chloroisonicotinal · 2-Chloronicotinealdehyde · 2-CHLORO-4-FORMYLPYRIDINE · 2-CHLOROISONICOTINALDEHYDE
Identifiers & Physical Properties
| CAS No. | 101066-61-9 |
|---|---|
| Molecular formula | C6H4ClNO |
| Average molar mass | 141.55 g/mol |
| Monoisotopic mass | 140.9981414 g/mol |
| SMILES | O=Cc1ccnc(Cl)c1 |
| InChIKey | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| PubChem CID | 2762994 |
| EC No. | 622-550-6 |
| DTXSID | DTXSID90376645 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 30 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 107 |
| Melting point | 46-50 °C |
| Boiling point | 243.4±20.0 °C(Predicted) |
| Density | 1.332±0.06 g/cm3(Predicted) |
| Flash point | >230 °C |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -1.23±0.10(Predicted) |
| Color | White to Almost white |
| Sensitivity | Air Sensitive |
| BRN | 7986625 |
| InChI | InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H |
| InChIKey | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(C=O)=C1 |
| CAS DataBase Reference | 101066-61-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H317-H319-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36-43-36/37/38-20/21/22-42/43 |
| Safety statements (S) | 26-36/37-36/37/39-22-45-23 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Customs code | 2933399990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87%)Skin Irrit. 2 (100%)Skin Sens. 1 (87%)Eye Irrit. 2A (100%)STOT SE 3 (97.8%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 2933399990 |
| Risk statements (R) | 22-36-43-36/37/38-20/21/22-42/43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Harmful |
| Safety statements (S) | 26-36/37-36/37/39-22-45-23 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H317-H319-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Chloropyridine-4-carboxaldehyde is a reagent used in the chemoenzymic synthesis of α-fluoro β-hydroxy carboxylic esters. It is also a reagent in the combinatorial synthesis of methylene sulfonamides and related compounds as potential kinase inhibitors.