HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
5F203 · 5F-203 · NSC-703786 · 5-fluoro 203 · 5F 203 (5F-203 · NSC-703786 (5F-203) · 5-fluoro 203, 10 mM in DMSO · 4-(5-Fluorobenzo[d]thiazol-2-yl)-2-methylaniline
Identifiers & Physical Properties
| CAS No. | 260443-89-8 |
|---|---|
| Molecular formula | C14H11FN2S |
| Average molar mass | 258.32 g/mol |
| Monoisotopic mass | 258.06269757 g/mol |
| SMILES | Cc1cc(-c2nc3cc(F)ccc3s2)ccc1N |
| InChIKey | IFWLHIIUGSEKKE-UHFFFAOYSA-N |
| PubChem CID | 396813 |
| ChEMBL | CHEMBL286593 |
| EC No. | 809-097-1 |
| DTXSID | DTXSID80327929 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 67.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 302 |
| Storage conditions | 2-8°C |
| Solubility | DMSO: soluble20mg/mL, clear |
| Physical state | powder |
| Color | white to beige |
| InChI | 1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14/h2-7H,16H2,1H3 |
| InChIKey | IFWLHIIUGSEKKE-UHFFFAOYSA-N |
| SMILES | Fc1cc2nc([s]c2cc1)c3cc(c(cc3)N)C |
| FDA UNII | 3J3GHW53E4 |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302 |
| Hazard class | Acute Tox. 4 Oral |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
5-Fluoro 203 is a cytotoxic agent which actiates AhR signaling, inducing transcription of CYP1A1 which leads to the formation of DNA adducts and cell cycle arrest.