HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorobenzyl isocyanate
516554_ALDRICH · 3-Fluorobenzyl isocyanate · 3-Fluorobenzyl isocyanate 98% · benzene, 1-fluoro-3-(isocyanatomethyl)- · InChI=1/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H
Identifikatoren & physikalische Daten
| CAS No. | 102422-56-0 |
|---|---|
| Summenformel | C8H6FNO |
| Durchschnittliche Molmasse | 151,14 g/mol |
| Monoisotopische Masse | 151,04334198 g/mol |
| SMILES | O=C=NCc1cccc(F)c1 |
| InChIKey | PHRJTGPFEAUEBC-UHFFFAOYSA-N |
| PubChem CID | 643499 |
| EC No. | 627-796-8 |
| DTXSID | DTXSID60349200 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 165 |
| Siedepunkt | 209 °C (lit.) |
| Dichte | 1.09±0.1 g/cm3(Predicted) |
| Brechungsindex | n20/D 1.506(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| InChI | 1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2 |
| InChIKey | PHRJTGPFEAUEBC-UHFFFAOYSA-N |
| SMILES | Fc1cccc(CN=C=O)c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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 (100%)Eye Irrit. 2 (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3080 6.1/PG 2 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |