HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Fluoro-1H-indole
7-FLUORO-1H-INDOLE · uoro-1H-indoL · 7-Flouroindole · 7-ETHOXYINDOLE · 7-FLUOROINDOLE · 7-Fluoroindole>BUTTPARK 24\07-35 · 7-Fluoroindole,97% · 7-Fluoroindole,98%
Identifiers & Physical Properties
| CAS No. | 387-44-0 |
|---|---|
| Molecular formula | C8H6FN |
| Average molar mass | 135.14 g/mol |
| Monoisotopic mass | 135.04842741 g/mol |
| SMILES | Fc1cccc2cc[nH]c12 |
| InChIKey | XONKJZDHGCMRRF-UHFFFAOYSA-N |
| PubChem CID | 2774504 |
| ChEMBL | CHEMBL6147011 |
| EC No. | 640-248-2 |
| DTXSID | DTXSID60379062 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 15.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 126 |
| Melting point | 61 °C |
| Boiling point | 258.0±13.0 °C(Predicted) |
| Density | 1.273±0.06 g/cm3(Predicted) |
| Flash point | >110° |
| Storage conditions | 2-8°C |
| Solubility | Soluble in methanol. (almost transparency) |
| pKa (acidity coefficient) | 15.55±0.30(Predicted) |
| Physical state | powder to crystal |
| Color | White to Light yellow to Light orange |
| BRN | 114740 |
| InChI | InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H |
| InChIKey | XONKJZDHGCMRRF-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2F)C=C1 |
| CAS DataBase Reference | 387-44-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-41-37/38-22 |
| Safety statements (S) | 26-36-39 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (61.9%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38-41-37/38-22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Irritant |
| Safety statements (S) | 26-36-39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
7-Fluoroindole is a reagent used in chemical synthesis. It has been used to synthesize antiviral compounds against Pseudomonas aeruginosa and Staphylococcus aureus along with creation of immunomodulators. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.