HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Hydroxyindole
1H-INDOL-7-OL · 7-INDOLOL · Indol-7-ol · 7-HYDROXYINDOLE · 7-HYDROXYLINDOLE · 7-Hydroxy-1H-indole · 7-HYDROXYINDOLE 95% · 7-Monohydroxyindole

Identifiers & Physical Properties
| CAS No. | 2380-84-9 |
|---|---|
| Molecular formula | C8H7NO |
| Average molar mass | 133.15 g/mol |
| Monoisotopic mass | 133.05276384 g/mol |
| SMILES | Oc1cccc2cc[nH]c12 |
| InChIKey | ORVPXPKEZLTMNW-UHFFFAOYSA-N |
| PubChem CID | 2737651 |
| ChEMBL | CHEMBL3634136 |
| EC No. | 691-806-7 |
| DTXSID | DTXSID5042669 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 36 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 126 |
| Melting point | 84-88 |
| Boiling point | 343.2±15.0 °C(Predicted) |
| Density | 1.327±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Store in freezer, under -20°C |
| pKa (acidity coefficient) | 10.10±0.40(Predicted) |
| Physical state | Solid |
| Appearance | Off-white to light brown Solid |
| InChI | 1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H |
| InChIKey | ORVPXPKEZLTMNW-UHFFFAOYSA-N |
| SMILES | Oc1cccc2cc[nH]c12 |
| CAS DataBase Reference | 2380-84-9(CAS DataBase Reference) |
| FDA UNII | OR3V96LY5G |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H318 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P501 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 22-41-36/37/38-20/21/22 |
| Safety statements (S) | 26-39-36/37/39 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful/Irritant/Store below -20C |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 22-41-36/37/38-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Harmful/Irritant/Store below -20C |
| Safety statements (S) | 26-39-36/37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H318 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P501 |
Applications & Uses
Uses
7-Hydroxyindole (cas# 2380-84-9) is a compound useful in organic synthesis.