HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9834Erstellt: 26. Oktober 2026
3-Fluorphenylisothiocyanat
WLN: SCNR CF · TIMTEC-BB SBB006700 · m-Fluorophenyl isothiocyanat · 3-Fluorphenyl isothiocyanate · m-Fluorophenyl isothiocyanate · 3-Fluoro-3-isothiocyanato-ben · 3-Fluorophenyl isothiocyanate · 3-FluorophenylIsothiocyanate>1-fluoro-3-isothiocyanato-benzen
https://huagongshe.com/de/chemical/9834
Identifikatoren & physikalische Daten
| CAS No. | 404-72-8 |
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| Summenformel | C7H4FNS |
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| Durchschnittliche Molmasse | 153,18 g/mol |
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| Monoisotopische Masse | 153,00484835 g/mol |
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| SMILES | Fc1cccc(N=C=S)c1 |
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| InChIKey | HDBACITVPQEAGG-UHFFFAOYSA-N |
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| PubChem CID | 9834 |
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| EC No. | 206-967-7 |
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| DTXSID | DTXSID5059955 |
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| Lokaler Name | 3-Fluorphenylisothiocyanat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 154 |
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| Siedepunkt | 227 °C(lit.) |
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| Dichte | 1.27 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.62(lit.) |
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| Flammpunkt | 185 °F |
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| Lagerbedingungen | 0-6°C |
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| Aggregatzustand | clear liquid |
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| Wichte | 1.270 |
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| Farbe | Light yellow to Yellow to Orange |
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| BRN | 2081172 |
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| InChI | 1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H |
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| InChIKey | HDBACITVPQEAGG-UHFFFAOYSA-N |
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| SMILES | Fc1cccc(c1)N=C=S |
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| CAS Datenbank | 404-72-8(CAS DataBase Reference) |
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| EPA chemische Informationen | 3-Fluorophenyl isothiocyanate (404-72-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3265 8/PG 2 |
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| Zollcode | 2930909899 |
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| RTECS-Nr. | NX8750000 |
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| R-Sätze (R) | 20/21/22-34-36/37-36/37/38 |
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| Gefahrensymbole | C,T,Xi,Xn |
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| hazard_note | Toxic/Irritant |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
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| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Corr. 1BSTOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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