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1,2,4-Trichlorobenzene
1,2,4-Trichlorbenzol · TRICHLOROBENZENE124-,, · 1,2,4-TRICHLOROBENZENE SINGLE COMPONENT STANDARD FOR EPA · 124TCB · ai3-07775 · 1.2.4-Tric · 1,2,4TrichL · Hipochem GM
Identifikatoren & physikalische Daten
| CAS No. | 120-82-1 |
|---|---|
| Summenformel | C6H3Cl3 |
| Durchschnittliche Molmasse | 181,4 g/mol |
| Monoisotopische Masse | 179,930033 g/mol |
| SMILES | Clc1ccc(Cl)c(Cl)c1 |
| InChIKey | PBKONEOXTCPAFI-UHFFFAOYSA-N |
| PubChem CID | 13 |
| ChEMBL | CHEMBL296348 |
| ChEBI | CHEBI:28222 |
| EC No. | 204-428-0 |
| DTXSID | DTXSID0021965 |
| Lokaler Name | 1,2,4-Trichlorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94 |
| Schmelzpunkt | 16 °C(lit.) |
| Siedepunkt | 214 °C(lit.) |
| Dichte | 1.454 g/mL at 25 °C(lit.) |
| Dampfdichte | >6 (vs air) |
| Dampfdruck | 1 mm Hg ( 40 °C) |
| Brechungsindex | n20/D 1.571(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | water: insoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Geruch | Characteristic aromatic odor |
| Explosionsgrenze | 6.6%, 150°F |
| Merck | 14,9631 |
| BRN | 956819 |
| Henry-Konstante | 0.997 at 20.0 °C (wetted-wall column, ten Hulscher et al., 1992) 1.24, 2.27, 2.58, 3.06, and 3.90 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME, Dewulf et al., 1999) |
| Dielektrizitätskonstante | 2.2400000000000002 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| InChI | 1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H |
| InChIKey | PBKONEOXTCPAFI-UHFFFAOYSA-N |
| SMILES | Clc1ccc(Cl)c(Cl)c1 |
| LogP (Verteilungskoeffizient) | 4.28 |
| CAS Datenbank | 120-82-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2,4-trichloro-(120-82-1) |
| EPA chemische Informationen | 1,2,4-Trichlorobenzene (120-82-1) |
Sicherheit & Vorschriften
| Arbeitsplatzgrenzwert (OEL) | Ceiling: 5 ppm (40 mg/m3) |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2321 6.1/PG 3 |
| Zollcode | 29036990 |
| RTECS-Nr. | DC2100000 |
| R-Sätze (R) | 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53 |
| Toxizität | LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg |
| Gefahrensymbole | Xn,N,Xi,T,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-37/39-60-61-45-36/37-16-7 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 120-82-1(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 571 °C |
Anwendungen & Verwendung
Beschreibung
Trichlorobenzenes (TCBs) are synthetic chemicals that occur in three different isomeric forms. The three chlorinated cyclic aromatic isomers are 1,2,3-trichlorobenzene (1,2,3-TCB), 1,2,4-trichlorobenzene (1,2,4-TCB), and 1,3,5-trichlorobenzene (1,3,5-TCB). 1,2,4-TCB is one of the 188 chemicals designated as a hazardous air pollutant under the Clean Air Act.