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4.4.4-트리클로로부틸렌옥사이드

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

HCID 18322
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
3083-25-8
표준 SMILES
ClC(Cl)(Cl)CC1CO1
InChIKey
CYYDNXCYDWWSPS-UHFFFAOYSA-N
분자식
C4H5Cl3O
평균 분자량
175.44 g/mol
단동위원소 질량
173.940598

개요

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

이름 및 식별자

우선 이름
1,1,1-Trichloro-3,4-epoxybutane
IUPAC
2-(2,2,2-trichloroethyl)oxirane
현지명
4.4.4-트리클로로부틸렌옥사이드
영어명
4.4.4-TRICHLOROBUTYLENE OXIDE
분자식
C4H5Cl3O
분자량
175.44

이름 및 동의어

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
이름 더 보기
4.4.4-트리클로로부틸렌옥사이드trichlorobutyleneoxide2,2,2-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)

데이터베이스 식별자

CAS
3083-25-8
PubChem CID
18322
DTXSID
DTXSID8025250
UNII
NI022UOH8G
EC Number
221-385-3
Nikkaji
J42.096D

물성

구조 계산 물성

XLogP
2.1
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
8
형식 전하
0
복잡도
87.8

실험 및 물리화학적 성질

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

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

Yellow liquid; [CAMEO]

물리화학적 성질

끓는 점
249.32 °C · 249.32°C (rough estimate)
밀도
1.5422 · 1.5422 (rough estimate)
굴절률
1.4988 · 1.4988 (estimate)
EPA
Trichlorobutylene oxide (3083-25-8)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 2건

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 · 1건

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.

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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) · 1건

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)

독성 정보

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

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 · 1건

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

안전 데이터

tsca
TSCA listed
유해 물질 데이터
3083-25-8(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 3건

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

CHEM INT FOR POLYMERS & FLAME RETARDANT RESINS

SOLVENT

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 2건

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

(1981) No Data

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

응용 분야

일반 설명Clear yellow liquid.

공급사2 곳

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]

관련 반응

5건
반응 기록 만들기
HRID 941974 반응식
HRID 941974반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 2312309 반응식
HRID 2312309반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2420277 반응식
HRID 2420277반응물로uspto-grants-1978_08
HRID 2420278 반응식
HRID 2420278반응물로uspto-grants-1978_08
HRID 2420279 반응식
HRID 2420279반응물로uspto-grants-1978_08

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