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(2,2,2-Trichlorethyl)oxiran

1,1,1-Trichloro-3,4-epoxybutane

HCID 18322
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
3083-25-8
Standard-SMILES
ClC(Cl)(Cl)CC1CO1
InChIKey
CYYDNXCYDWWSPS-UHFFFAOYSA-N
Summenformel
C4H5Cl3O
Durchschnittliche Molmasse
175,44 g/mol
Monoisotopische Masse
173,940598

Überblick

1,2-epoxy-4,4,4-trichlorobutane is a clear yellow liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
1,1,1-Trichloro-3,4-epoxybutane
IUPAC
2-(2,2,2-trichloroethyl)oxirane
Lokaler Name
(2,2,2-Trichlorethyl)oxiran
Englischer Name
4.4.4-TRICHLOROBUTYLENE OXIDE
Summenformel
C4H5Cl3O
Molmasse
175.44

Namen und Synonyme

Trichlorobutylene oxide3083-25-82-(2,2,2-Trichloroethyl)oxirane1,2-Epoxy-4,4,4-trichlorobutane4,4,4-Trichloro-1,2-epoxybutane(2,2,2-Trichloroethyl)oxirane4,4,4-Trichloro-1,2-butylene oxideOxirane, (2,2,2-trichloroethyl)-Oxirene, 2,2,2-trichloroethyl-Butane, 1,1,1-trichloro-3,4-epoxy-Butane, 1,2-epoxy-4,4,4-trichloro-1,1,1-TRICHLORO-3,4-EPOXYBUTANE
Weitere Namen anzeigen
trichlorobutyleneoxide2,2,2-trichloroethyl-oxirentrichlorobutyleneoxide(tcbo)(2,2,2-trichloroethyl)-oxiran1,2-epoxy-4,4,4-trichloro-butan1,1,1-trichloro-3,4-epoxy-butanoxirane,(2,2,2-trichloroethyl)-
CCRIS 2622HSDB 6079EINECS 221-385-3NI022UOH8GOxirane, 2-(2,2,2-trichloroethyl)-BRN 0104218DTXSID80252504-17-00-00046 (Beilstein Handbook Reference)

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
12,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
8
Formalladung
0
Komplexität
87,8

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Epoxides
Solubility0.1 to 1 mg/mL at 64 °F (NTP, 1992)
Physical Description · 2 Einträge

1,2-epoxy-4,4,4-trichlorobutane is a clear yellow liquid. (NTP, 1992)

Yellow liquid; [CAMEO]

Physikochemische Eigenschaften

Siedepunkt
249.32 °C · 249.32°C (rough estimate)
Dichte
1.5422 · 1.5422 (rough estimate)
Brechungsindex
1.4988 · 1.4988 (estimate)
EPA chemische Informationen
Trichlorobutylene oxide (3083-25-8)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Oxirane, (2,2,2-trichloroethyl)-

S - indicates a substance that is identified in a final Significant New Use Rule.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Irritation of eyes, skin and mucous membranes.
Hazards SummaryCauses dyspnea and convulsions in lethal-dose inhalation studies of rats; A mutagen and severe skin irritant; [RTECS] Emergency treatment: irritants; [HSDB] A skin, eye, and mucous membrane irritant; [CAMEO]
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsPolymerizable
Reactivity Profile · 1 Eintrag

Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.

Air and Water ReactionsSlightly soluble in water.

Sicherheit und Schutzausrüstung

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Used as a solvent and to make polymers and flame retardant resins; [HSDB]

CHEM INT FOR POLYMERS & FLAME RETARDANT RESINS

SOLVENT

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 2 Einträge

(1977) AT LEAST 4.54X10+8 G (CAPTIVE PRODN)

(1981) No Data

General Manufacturing InformationOxirane, 2-(2,2,2-trichloroethyl)-: INACTIVE

Anbieter2 Anbieter

陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Zugehörige Reaktionen

5
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 941974
HRID 941974als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 2312309
HRID 2312309als EduktTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaktionsgleichung von HRID 2420277
HRID 2420277als Eduktuspto-grants-1978_08
Reaktionsgleichung von HRID 2420278
HRID 2420278als Eduktuspto-grants-1978_08
Reaktionsgleichung von HRID 2420279
HRID 2420279als Eduktuspto-grants-1978_08

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
CAS
3083-25-8
PubChem CID
18322
DTXSID
DTXSID8025250
UNII
NI022UOH8G
EC Number
221-385-3
Nikkaji
J42.096D
Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
TSCA Test Submissions · 2 Einträge

Teratogenicity was evaluated in pregnant Charles River CD rats (25/group) orally exposed by gavage to trichlorobutylene oxide in Mazola corn oil vehicle at dose levels of 0, 10, 30, 100 or 300 mg/kg/day on gestation days (GD) 6-15. Cesarean sections were performed on GD 20. Significant differences were observed between treated and control animals in the following: increased maternal mortality (high-dose group, 14/25 died on GD 9-16), decreased weight and weight gain (high-dose group), and decreased fetal body weight (high-dose group). No significant differences were observed between treated and control animals in the following: mean number of viable or nonviable fetuses, early or late resorptions, postimplantation loss, total implantations, corpora lutea, fetal sex ratio, and number of fetuses or litters with fetal malformations.

The mutagenicity of trichlorobutylene oxide (TCBO) was evaluated in the bacteria Salmonella tester strains TA98, TA100, TA1535, TA1537 and TA1538 (Ames Test), and in the yeast Saccharomyces cerevisiae tester strain D3, both in the presence and absence of added metabolic activation by Aroclor-induced rat liver S9 fraction. Based on preliminary toxicity determinations, TCBO was tested for mutagenicity at concentrations up to 100 ul/desiccator (volume of desiccator not reported) using a desiccator assay method. TCBO caused a reproducible positive response in bacterial tester strains TA100, TA1535, and TA1537 without activation at concentrations of 25 ul/desiccator and higher and with activation in tester strains TA1535 at 10 ul/desiccator and higher and TA100 at 25 ul/desiccator and higher. TCBO did not cause a positive response in yeast tester strain D3, either with or without metabolic activation.

Non-Human Toxicity Excerpts · 1 Eintrag

1,1,1-TRICHLOROBUTANE-3,4-OXIDE WAS A MODERATELY ACTIVE INHIBITOR OF EPOXIDE HYDRASE IN A SYSTEM USING CHICKEN LIVER MICROSOMES AND A RADIOMETRIC ASSAY BASED ON (3H)STYRENE OXIDE, AND USING PARTIALLY PURIFIED CHICKEN LIVER MICROSOMAL EPOXIDE HYDRASE AND A CONTINUOUS PHOTOMETRIC ASSAY BASED ON P-NITROSTYRENE OXIDE WITH HYDRATION MONITORED AT 310 NM. INHIBITION WAS GREATER AGAINST STYRENE OXIDE (KM= 1.0 MMOL) THAN AGAINST P-NITROSTYRENE OXIDE (KM= 4.2 MUMOL).

Toxicity DataLCLo (rat) = 200,000 mg/m3/1h

Sicherheitsdaten

tsca
TSCA listed
Giftige Stoffe Daten
3083-25-8(Hazardous Substances Data)