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(E)-1,3-Dichloropropene
PHENYL VINYL SULFONE · (e)-1,3-dichloroprop-1-ene · (E)-1,3-Dichloropropene · D-D · TELONE · 1,3-DICHLOROPENE · DICHLOROPROPYLENE · Trans-1,3-Dichloropropane
Identifikatoren & physikalische Daten
| CAS No. | 10061-02-6 |
|---|---|
| Summenformel | C3H4Cl2 |
| Durchschnittliche Molmasse | 110,97 g/mol |
| Monoisotopische Masse | 109,96900549 g/mol |
| SMILES | Cl/C=C/CCl |
| InChIKey | UOORRWUZONOOLO-OWOJBTEDSA-N |
| PubChem CID | 24726 |
| ChEMBL | CHEMBL155926 |
| ChEBI | CHEBI:18624 |
| EC No. | 431-460-4 |
| DTXSID | DTXSID2042480 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 31,9 |
| SpringerMaterials Properties | Schoenflies notation |
| Pestizide | Pesticides -> FumigantsVolatile Organic Compound (VOC) (Pesticide/Volatile Organic Compound (VOC)) |
| LogP (Verteilungskoeffizient) | log Kow= 2.032.04 |
| Geruch | CHLOROFORM-LIKE ODORSharp, sweet, penetrating odor /1,3-Dichloropropene/ |
| Dichte | 1.224 at 68 °F (NTP, 1992) - Denser than waterwill sink1.224 @ 20 °C/4 °C1.198 g/mL at 25 °C(lit.) |
| Color/Form | Colorless to amber liquid /1,3-Dichloropropene/ |
| Löslichkeit | less than 1 mg/mL at 68.9 °F (NTP, 1992)Sol in ether, benzene, chloroformIn water, 2,800 mg/l @ 25 °C.2800 mg/L @ 20 °C (exp)Miscible with acetone, benzene, carbon tetrachloride, heptane, methanol (Worthing and Hance, 1991), methylene chloride, chloroform, trichloroethylene, and 1,1,2,2-tetrachloroethane.2.8g/L(20 ºC) |
| Siedepunkt | 234 °F at 760 mmHg (NTP, 1992)112 °C112.00 °C. @ 760.00 mm Hg97-112 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Schmelzpunkt | -50 °C |
| Dampfdichte | 1.4 AT 37.8 °C (AIR= 1) |
| Dampfdruck | 34 mmHg at 77 °F (NTP, 1992)34.0 [mmHg]34 mm Hg @ 25 °C79.1 at 50 °C, 523.5 at 100 °C (Wilding et al., 2002) |
| Brechungsindex | n20/D 1.472(lit.) |
| Flammpunkt | 78 °F |
| Lagerbedingungen | 0-6°C |
| Wichte | 1.217 |
| Farbe | Colorless to Light yellow to Light orange |
| Merck | 14,3075 |
| Henry-Konstante | 1.3 x 10-3 atmm3/mol (Pankow and Rosen, 1988) 0.793 x 10-3 atmm3/mol at 20 °C, 1.87 at 40 °C (static headspace-GC, Kim et al., 2003) |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, aluminium, aluminium alloys, some metal salts and halogens. May be light sensitive. |
| Hauptanwendungen | environmental |
| InChI | 1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ |
| InChIKey | UOORRWUZONOOLO-OWOJBTEDSA-N |
| SMILES | [H]\C(Cl)=C(\[H])CCl |
| CAS Datenbank | 10061-02-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propene, 1,3-dichloro-, (E)-(10061-02-6) |
| EPA chemische Informationen | trans-1,3-Dichloropropene (10061-02-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.8% (1 of 21) of reports.DangerH226 (28.6%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P318, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 21 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12976The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Flash point data for this chemical are not available, however literature indicates that this material is flammable. (NTP, 1992) |
| Brandpotenzial | A dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include local irritation of the eyes skin and respiratory tract, dermatitis, gasping, coughing, substernal pain, extreme respiratory distress, lacrimation, central nervous system depression, acute gastrointestinal distress with pulmonary congestion and edema. It may also cause injury to the liver, kidneys and heart. |
| Gefahrenübersicht | A skin, eye, and respiratory tract irritantMay cause burns and lacrimationMay cause injury to liver, kidneys, and heart[Merck Index] A strong irritantMay cause lacrimation, severe respiratory distress, CNS depression, and GI distress with pulmonary congestion and edemaMay cause liver, kidney, and heart damage |
Anwendungen & Verwendung
Beschreibung
Trans-1,3-dichloropropene appears as a clear colorless liquid with chloroform odor. Flash point 95 °F. Density 1.225 g/cm3 and insoluble in water. Hence sinks in water. A strong irritant. Used as a soil fumigant. It is used as an intermediate in the manufacture of 3,3-dichloro-1-propene and other pesticides.
Verwenden
The isomer mixture is used as a soil fumigant and a nematocide.