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Trichlormethylchlorformiat
TRICHLOROMETHYL CHLOROFORMATE · DP · ASP-PRO · Difosgen · Perstoff · Diphosgen · DIPHOSGENE · Disphosgene
Identifikatoren & physikalische Daten
| CAS No. | 503-38-8 |
|---|---|
| Summenformel | C2Cl4O2 |
| Durchschnittliche Molmasse | 197,8 g/mol |
| Monoisotopische Masse | 195,86523996 g/mol |
| SMILES | O=C(Cl)OC(Cl)(Cl)Cl |
| InChIKey | HCUYBXPSSCRKRF-UHFFFAOYSA-N |
| PubChem CID | 10426 |
| EC No. | 207-965-9 |
| DTXSID | DTXSID60862065 |
| Lokaler Name | Trichlormethylchlorformiat |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 94,7 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 1.49 |
| Geruch | ODOR SIMILAR TO PHOSGENE (NEWMOWN HAY) |
| Dichte | 1.6525 @ 14 °C1.6 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.081.64 |
| Color/Form | COLORLESS LIQUID |
| Löslichkeit | INSOL IN WATERSOL IN ETHANOL, VERY SOL IN ETHERSOL IN BENZENE, ALCOHOL, AND ETHERSolubility in water: reactionChloroform (Soluble), Ethyl Acetate (Sparingly)may decompose |
| Siedepunkt | 128 °C @ 760 MM HGSuffocating liquidBoiling point = 49 °C at 50 mm HgStable at room temp, decomposes to phosgene at approximately 300 °Cat 101.3 kPa: 128 °C20 °C10 mm Hg(lit.) |
| Decomposition | Highly dangerouswhen heated to decomp ... will react to produce toxic and corrosive fumes. /phosgene/ |
| Schmelzpunkt | -57 °C |
| Dampfdichte | Relative vapor density (air = 1): 6.83 |
| Dampfdruck | 10 MM HG @ 20 °CVapor pressure, kPa at 20 °C: 1.313 hPa ( 20 °C) |
| Brechungsindex | n20/D 1.458 |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Merck | 14,3334 |
| BRN | 970225 |
| Stabilität | Hygroscopic, Moisture Sensitive |
| InChI | 1S/C2Cl4O2/c3-1(7)8-2(4,5)6 |
| InChIKey | HCUYBXPSSCRKRF-UHFFFAOYSA-N |
| SMILES | ClC(=O)OC(Cl)(Cl)Cl |
| CAS Datenbank | 503-38-8(CAS DataBase Reference) |
| NIST chemische Informationen | Trichloromethyl chloroformate(503-38-8) |
| EPA chemische Informationen | Carbonochloridic acid, trichloromethyl ester (503-38-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (87%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Carbonochloridic acid, trichloromethyl esterTrichloromethyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Brandgefahren | Not combustible. |
| Gefahrenübersicht | Similar to phosgene in reactivityDecomposes slowly in water or moisture to release hydrochloric acid and carbon monoxideSkin contact may cause burns or frostbite[CAMEO] Causes lachrymation[ICSC] See Phosgene. |
| Chemical Dangers | Decomposes on heating. This produces toxic and corrosive fumes including chlorine and phosgene. Reacts with water. This produces toxic and corrosive fumes. |
| Physical Dangers | The vapour is heavier than air. |
| DOT Emergency Guidelines | If ... THERE IS NO FIRE, go directly to the Table of Initial Isolation and Protective Action Distances /(see table below)/ ... to obtain initial isolation and protective action distances. IF THERE IS A FIRE, or IF A FIRE IS INVOLVED, go directly to the appropriate guide /(see guide(s) below)/ and use the evacuation information shown under PUBLIC SAFETY.For more DOT Emergency Guidelines (Complete) data for DIPHOSGENE (12 total), please visit the HSDB record page. |
| Hazard Classes and Categories | Acute Tox. 2 (87%) |
| Hazardous Reactivities and Incompatibilities | WILL REACT WITH WATER OR STEAM TO PRODUCE TOXIC & CORROSIVE FUMES. |
| Brandbekämpfung | In case of fire in the surroundings, use appropriate extinguishing media. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. |
| Sichere Lagerung | Dry. Well closed. Keep in a well-ventilated room. |
| Expositionsschutz und Persönliche Schutzausrüstung | TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016]. |
| Lagerbedingungen | ... THESE CMPD DECOMPOSE EASILY, STORAGE CONTAINERS SHOULD BE VENTED. /CHLOROFORMATES/ |
| Reinigungsverfahren | TO DECONTAMINATE IN ENCLOSED SPACES, USE AMMONIA OR STEAM. |
| Verschüttetes entsorgen | Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Preventive Measures | ALL MATERIALS SHOULD BE HANDLED SO AS TO PREVENT ALL CONTACT. ... EYEWASH FOUNTAINS SHOULD BE PROVIDED. ALSO, SPECIAL ATTENTION SHOULD BE GIVEN TO EYE & RESPIRATORY TRACT MEDICAL EXAMINATIONS. /CHLOROFORMATES/ |
| Eye Prevention | Wear safety goggles. |
| Inhalation Risk | A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | STRICT HYGIENE! |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Expositionspfade | The substance can be absorbed into the body in hazardous amounts by inhalation. |
| Signs and Symptoms | Burning sensation. Chest tightness. Sore throat. Cough. Laboured breathing. Shortness of breath. Symptoms may be delayed.Redness.Watering of the eyes. Redness. |
| Human Toxicity Excerpts | EYE IRRITATION, IRRITATION OF UPPER RESPIRATORY TRACT, & SURFACE BURNS HAVE BEEN PRINCIPAL FINDINGS IN EXPOSED HUMANS. PULMONARY EDEMA WOULD UNDOUBTEDLY OCCUR WITH HIGHER LEVELS OF EXPOSURE. EYE IRRITATION MAY PERSIST SOME TIME AFTER EXPOSURE CEASES. SKIN SENSITIZATION MAY OCCUR. /CHLOROFORMATES/INSIDIOUS POISON AS IT IS NOT IRRITATING IMMEDIATELY, EVEN WHEN FATAL CONCN ARE INHALED. MAY CAUSE SEVERE PULMONARY EDEMA (MAY BE QUICKLY FATAL) OR PNEUMONIA. INHALATION OF HIGH CONCN CAUSES CHOKING, CONSTRICTED FEELING IN CHEST, COUGHING, PAINFUL BREATHING, BLOODY SPUTUM. VAPORS STRONGLY IRRITATING TO THE EYES. /PHOSGENE/HIGHLY TOXIC BY INHALATION & INGESTION. STRONG IRRITANT TO TISSUE. |
| Non-Human Toxicity Excerpts | NO EVIDENCE EXISTS FOR A SYSTEMIC ACTION OF INHALED PHOSGENE, BUT VASOCONSTRICTION OF PULMONARY VASCULATURE HAS BEEN DESCRIBED IN RABBITS. SEQUELAE INCLUDE PULMONARY SCARRING, LOBULAR EMPHYSEMA, SMALL IRREGULAR AREAS OF ATELECTASIS & BRONCHITIS. /PHOSGENE/SOME POSSIBLE MECHANISMS OF REDUCED ACTIVITY OF LUNG SURFACTANT IN ACUTE PULMONARY EDEMA WERE STUDIED IN ALBINO RATS & RABBITS. MOST OF THE EDEMOGENIC SUBSTANCES DID NOT CHANGE SURFACTANT ACTIVITY WHILE DIPHOSGENE REDUCED IT.The purpose of this study was to examine the changes of pulmonary hemodynamics, cardiac impedance parameters and the number of pulmonary microembolus, and leukocyte after diphosgene inhalation in rabbits. Fifty-three rabbits were randomized into two sets, one set was used to monitor the pulmonary hemodynamics, the other set was used to determine the cardiac impedance parameters, microemboli and leukocytes were obtained directly from the pulmonary microcirculation by use of the retrograde perfusion method. As compared with control group, lt was found that pulmonary artery pressure rose and pulmonary vascular resistance increased (p < 0.05), but did not correlate with lung water parameters (p > 0.05). At 1, 6 hr after diphosgene inhalation cardiac Impedance parameters did not change (p > 0.05~, as compared with before inhalation. Microemboli (21.8 increased (p< 0.05), as compared with the control group (106/L, 430e pulmonary hemodynamics, but could not effectively reduce the degree of pulmonary edema. |
| Probable Routes of Human Exposure | NO EFFECTS ON GENERAL HEALTH NOR IN LABORATORY FINDINGS (BLOOD STUDIES & LIVER FUNCTION TESTS) OF PERSONS MANUFACTURING CHLOROFORMATES WERE NOTED. /CHLOROFORMATES/ |
| Toxicity Data | LCLo (rabbits) = 900 mg/m3/15 min |
| F | 8-10-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3277 6.1/PG 2 |
| Zollcode | 29159000 |
| RTECS-Nr. | LQ7350000 |
| R-Sätze (R) | 26/28-34-26/27/28-36/37/38 |
| Toxizität | LC100 in rabbits (10-20 minutes exposure to vapor): 0.9 mg/l air (Klika, Mysliveckova) |
| Gefahrensymbole | T+,Xi |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-28A-36 |
| Gefahrenklasse | 6.1Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrstoffdaten | 503-38-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Diphosgene (DP), trichloromethyl chloroformate, is a clear, colorless liquid with an odor similar to phosgene. It is noncombustible, a strong irritant to the eyes and tissues, and is toxic by inhalation and ingestion. DP has a boiling point of 127°C–128°C (263°F) and a vapor pressure of 4.2 at 68°F (20°C). The liquid density is 1.65, which is heavier than water, and a melting/freezing point of 314°F (157°C). Inhalation LC50 is 3600 mg/m3 for 10 min. Effects of exposure are quite similar to phosgene gas. Its molecular formula is ClCOOCCl3, and the structure and molecular formula are shown in Figure 8.38. The DOT lists diphosgene as a 6.1 poison liquid. The NFPA 704 designation for CG is estimated to be health 4, flammability 0, reactivity 1, and special 0. It has a four-digit UN identification number of 2972.
Verwenden
In organic synthesis; as war gas.