HuagongsheHuagongshe Chemistry Print Report · For research reference only
Procodazole
procodazole · 3-(1H- · Propazol · propazole · procodazol · AKOS AUF2065 · Procodazole [INN] · IFLAB-BB F0852-0156
Identifiers & Physical Properties
| CAS No. | 23249-97-0 |
|---|---|
| Molecular formula | C10H10N2O2 |
| Average molar mass | 190.2 g/mol |
| Monoisotopic mass | 190.07422757 g/mol |
| SMILES | O=C(O)CCc1nc2ccccc2[nH]1 |
| InChIKey | XYWJNTOURDMTPI-UHFFFAOYSA-N |
| PubChem CID | 65708 |
| ChEMBL | CHEMBL596009 |
| ChEBI | CHEBI:134840 |
| EC No. | 628-218-7 |
| DTXSID | DTXSID5045093 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 66 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 220 |
| Melting point | 229-231 °C (dec.)(lit.) |
| Boiling point | 497.9±28.0 °C(Predicted) |
| Density | 1.367±0.06 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | DMSO : ≥ 30 mg/mL (157.73 mM) |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.98±0.10(Predicted) |
| Color | White to off-white |
| Merck | 13,7851 |
| InChI | InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| InChIKey | XYWJNTOURDMTPI-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)NC2=CC=CC=C2N=1 |
| CAS DataBase Reference | 23249-97-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | SG5IU7FD3R |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | UE7480000 |
| Hazard class | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29332990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.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 (100%)Skin Irrit. 2 (97.5%)Eye Irrit. 2 (97.5%)STOT SE 3 (97.5%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | UE7480000 |
| Customs code | 29332990 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 26-37/39 |
Applications & Uses
Uses
immune stimulant
Uses
2-Benzimidazolepropionic acid is suitable reagent for use in the method of generation of monoclonal antibodies against very small drug hapten, 5-benzimidazolecarboxylic acid by in vivo immunisation method and an in vitro immunisation procedure. It may be used in the synthesis of cytidine derivatives.
General Description
2-Benzimidazolepropionic acid is a 2-(4-thiazolyl)benzimidazole analog. 2-Benzimidazolepropionic acid is a 2-substituted benzimidazole ligand and its dissociation constant has been evaluated. 2-Benzimidazolepropionic acid is reported to possess active antimarial activity.