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1-Brom-3-fluorbenzol
1-BROMO-3-FLUOROBENZENE · Benzene, 1-bromo-3-fluoro- · M-BROMOFLUOROBENZENE · 3-BromofL · NSC 10267 · 3-Bromfluorbenzen · 3-bromfluorbenzene · 3-bromofluorobenzne

Identifikatoren & physikalische Daten
| CAS No. | 1073-06-9 |
|---|---|
| Summenformel | C6H4BrF |
| Durchschnittliche Molmasse | 175 g/mol |
| Monoisotopische Masse | 173,94804 g/mol |
| SMILES | Fc1cccc(Br)c1 |
| InChIKey | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
| PubChem CID | 14082 |
| EC No. | 214-023-0 |
| DTXSID | DTXSID9061461 |
| Lokaler Name | 1-Brom-3-fluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74 |
| Kovats Retention Index | 932.8 |
| Schmelzpunkt | -8°C |
| Siedepunkt | 149-151 °C(lit.) |
| Dichte | 1.567 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 102 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 0.4g/linsoluble |
| Aggregatzustand | Liquid |
| Wichte | 1.567 |
| Farbe | Clear colorless to light yellow |
| BRN | 1853969 |
| Henry-Konstante | 2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
| SMILES | Fc1cccc(Br)c1 |
| CAS Datenbank | 1073-06-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-3-fluoro-(1073-06-9) |
| EPA chemische Informationen | Benzene, 1-bromo-3-fluoro- (1073-06-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.WarningH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 79 reports by companies.There are 9 notifications provided by 77 of 79 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/306411-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (97.5%)Acute Tox. 4 (94.9%)Skin Irrit. 2 (96.2%)Eye Irrit. 2A (94.9%) |
| RAIS Toxicity Values | 0.03SCREEN Current0.00030.003PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | 1-Bromo-3-fluorobenzenePDF DocumentInadequate information to assess carcinogenic potential2017 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 2.30e+013.50e+024.90e+001.00e+014.70e-033.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 7.00e+011.10e+031.50e+011.00e+013.00e-04Volatile |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29036990 |
| RTECS-Nr. | DA1225000 |
| R-Sätze (R) | 10-22-36/38-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 26-36-37/39-16 |
| Gefahrenklasse | 3Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals