HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-3-pyridinecarboxaldehyde
2-CHLORONICOTINALDEHYDE · 2-CHLORO-3-FORMYLPYRIDINE · SKL1445 · 2-Chloronicotinal · TIMTEC-BB SBB004156 · 2-Chloro-3-pyridinec · oro-3-pyridinecarboxaL · CHLORO-2-FORMYL-3-PYRIDINE
Identifiers & Physical Properties
| CAS No. | 36404-88-3 |
|---|---|
| Molecular formula | C6H4ClNO |
| Average molar mass | 141.55 g/mol |
| Monoisotopic mass | 140.99814143 g/mol |
| SMILES | O=Cc1cccnc1Cl |
| InChIKey | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| PubChem CID | 737607 |
| ChEMBL | CHEMBL2228156 |
| EC No. | 629-217-4 |
| DTXSID | DTXSID40353269 |
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 | 50-54 °C (lit.) |
| Boiling point | 119 °C(Press: 30 Torr) |
| Density | 1.332±0.06 g/cm3(Predicted) |
| Flash point | >230 °C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Chloroform, DMSO |
| Physical state | Powder or Low Melting Solid |
| pKa (acidity coefficient) | -1.36±0.10(Predicted) |
| Color | White to off-white |
| InChI | InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H |
| InChIKey | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC=C1C=O |
| CAS DataBase Reference | 36404-88-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H317-H319 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36-43 |
| Safety statements (S) | 26-36/37 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Sens. 1 |
| Customs code | 29333990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29333990 |
| Risk statements (R) | 22-36-43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 26-36/37 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Sens. 1 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H317-H319 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Starting material for the preparation of 5-azaindoles by the Hemetsberger-Knittel reaction involving the thermal decomposition of alkenyl azides.1
Uses
Azaindazole intermediate.