HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Iodophenoxyacetic acid
4-Iodophenoxyacetic · 4-IODOPHENOXYACETIC ACID · P-IODOPHENOXYACETIC ACID · 4-IODOPHENOXYACETICACIDE · 2-(4-iodophenoxy)acetate · Iodine phenoxyacetic acid · 4-IodophenoxyaceticAcid>2-(4-iodophenoxy)aceticaci · 4-IODOPHENOXYACETIC ACID 90%
Identifiers & Physical Properties
| CAS No. | 1878-94-0 |
|---|---|
| Molecular formula | C8H7IO3 |
| Average molar mass | 278.04 g/mol |
| Monoisotopic mass | 277.94399208 g/mol |
| SMILES | O=C(O)COc1ccc(I)cc1 |
| InChIKey | RKORKXFKXYYHAQ-UHFFFAOYSA-N |
| PubChem CID | 74658 |
| ChEMBL | CHEMBL366651 |
| EC No. | 217-531-0 |
| DTXSID | DTXSID80172092 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 152 |
| LogP (partition coefficient) | 2.69 |
| Melting point | 154-157 °C(lit.) |
| Boiling point | 358.5±22.0 °C(Predicted) |
| Density | 1.8227 (estimate) |
| pKa (acidity coefficient) | pK1:3.16 (25°C) |
| Physical state | powder to crystal |
| Color | White to Almost white |
| Sensitivity | Light Sensitive |
| BRN | 2259999 |
| InChI | 1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | RKORKXFKXYYHAQ-UHFFFAOYSA-N |
| SMILES | OC(=O)COc1ccc(I)cc1 |
| CAS DataBase Reference | 1878-94-0(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-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29189900 |
| 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 6 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) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29189900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4-Iodophenoxyacetic acid is used as a plant growth regulator to accelerate cell division and differentiation; it is also used as a growth promoter to promote the metabolism of pigs and fatten them up.