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Chlor(2H5)benzol
D5-Chlorobenzene · Chlorobenzene-d5 · chloro(2H5)benzene · Benzene-d5, chloro- · (2H5)Phenyl chloride · chlorobenzene-d5 solution · pentadeuterochlorobenzene · Chlorobenzene-D? (D, 99%)
Identifikatoren & physikalische Daten
| CAS No. | 3114-55-4 |
|---|---|
| Summenformel | C6H5Cl |
| Durchschnittliche Molmasse | 117,59 g/mol |
| Monoisotopische Masse | 117,0393616 g/mol |
| SMILES | [2H]c1c([2H])c([2H])c(Cl)c([2H])c1[2H] |
| InChIKey | MVPPADPHJFYWMZ-RALIUCGRSA-N |
| PubChem CID | 575975 |
| EC No. | 221-482-0 |
| DTXSID | DTXSID90953233 |
| Lokaler Name | Chlor(2H5)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 46,1 |
| Siedepunkt | 130-130.5 °C (lit.) |
| Dichte | 1.157 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 75 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Chloroform, Ethyl AcetateNot miscible with water. |
| Aggregatzustand | Solid |
| Farbe | White |
| BRN | 1866335 |
| Henry-Konstante | 3.6×10-3 mol/(m3Pa) at 25℃, Hiatt (2013) |
| InChI | InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D |
| InChIKey | MVPPADPHJFYWMZ-RALIUCGRSA-N |
| SMILES | ClC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H] |
| CAS Datenbank | 3114-55-4(CAS DataBase Reference) |
| EPA chemische Informationen | Chlorobenzene-d5 (3114-55-4) |
| CAS Number Unlabeled | 108-90-7 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.WarningH226 (90%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene-d5, chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 3 (90%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1134 3/PG 3 |
| Zollcode | 28459000 |
| R-Sätze (R) | 10-20-51/53-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xn,N,F,T |
| Sicherheitshinweise (S) | 24/25-61-45-36/37-16-7 |
| Gefahrenklasse | 3Acute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Chlorobenzene-d5 is a halogenated D5 chlorobenzene for proteomics research. It is a precursor to deuterated dyes and rubbers. It is used as a high-boiling solvent in industrial applications.