化工社化工社 化学情報印刷レポート · 研究参考用
2,2,2-トリクロロエチルオキシラン
4,4,4-トリクロロ-1,2-エポキシブタン · 1,2-エポキシ-4,4,4-トリクロロブタン · 1,1,1-トリクロロ-3,4-エポキシブタン · 2-(2,2,2-トリクロロエチル)オキシラン · 2,2,2-トリクロロエチルオキシラン · トリクロロブチレンオキサイド · trichlorobutyleneoxide · 2,2,2-trichloroethyl-oxiren
識別子と物理属性
| CAS No. | 3083-25-8 |
|---|---|
| 分子式 | C4H5Cl3O |
| 平均分子量 | 175.44 g/mol |
| 単同位体質量 | 173.940598 g/mol |
| SMILES | ClC(Cl)(Cl)CC1CO1 |
| InChIKey | CYYDNXCYDWWSPS-UHFFFAOYSA-N |
| PubChem CID | 18322 |
| EC No. | 221-385-3 |
| DTXSID | DTXSID8025250 |
| 現地名 | 2,2,2-トリクロロエチルオキシラン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 12.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 87.8 |
| Polymers | Plastics & Rubber -> Epoxides |
| 溶解度 | 0.1 to 1 mg/mL at 64 °F (NTP, 1992) |
| Physical Description | 1,2-epoxy-4,4,4-trichlorobutane is a clear yellow liquid. (NTP, 1992)[CAMEO] |
| 沸点 | 249.32°C (rough estimate) |
| 密度 | 1.5422 (rough estimate) |
| 屈折率 | 1.4988 (estimate) |
| EPAの化学物質情報 | Trichlorobutylene oxide (3083-25-8) |
安全性と法規制
| 規制情報 | Chemical: Oxirane, (2,2,2-trichloroethyl)-S - indicates a substance that is identified in a final Significant New Use Rule. |
|---|---|
| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| 火災危険 | Flash point data for this compound are not available, but it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Irritation of eyes, skin and mucous membranes. |
| 有害性の概要 | Causes dyspnea and convulsions in lethal-dose inhalation studies of ratsA mutagen and severe skin irritant[RTECS] Emergency treatment: irritants[HSDB] A skin, eye, and mucous membrane irritant[CAMEO] |
| 反応性グループ | Halogenated Organic Compounds |
| Reactivity Alerts | Polymerizable |
| Reactivity Profile | 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 Reactions | Slightly soluble in water. |
| 消火 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992) |
| 応急処置 | 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. |
| 非火災時の漏出対応 | 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) | 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) |
| 有害作用 | Neurotoxin - Other CNS neurotoxin |
| TSCA Test Submissions | 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 | 1,1,1-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 Data | LCLo (rat) = 200,000 mg/m3/1h |
| TSCA 収載状態 | TSCA listed |
| 有害物質データ | 3083-25-8(Hazardous Substances Data) |
用途
一般的な説明
Clear yellow liquid.