기본 정보
- CAS
13608-87-2- 표준 SMILES
CC(=O)c1ccc(Cl)c(Cl)c1Cl- InChIKey
BXJZZJYNVIDEKG-UHFFFAOYSA-N- 분자식
- C8H5Cl3O
- 평균 분자량
- 223.5 g/mol
- 단동위원소 질량
- 221.94059782
개요
2',3',4'-trichloroacetophenone is a dark gold-colored solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2',3',4'-Trichloroacetophenone
- IUPAC
- 1-(2,3,4-trichlorophenyl)ethanone
- 영어명
- 2',3',4'-Trichloroacetophenone
- 분자식
- C8H5Cl3O
- 분자량
- 223.48
이름 및 동의어
2',3',4'-TRICHLOROACETOPHENONE1-(2,3,4-Trichlorophenyl)ethanone2,3,4-TrichloroacetophenoneCCRIS 785DTXSID2022256EINECS 237-092-9UNII-8HVD33N7858HVD33N785DTXCID502256BXJZZJYNVIDEKG-UHFFFAOYSA-TRICHLOROACETOPHENONE, 2',3',4'-UN1759
이름 더 보기
2',3',4'-TrichloroacetonphenoneEthanone, 1-2,3,4-trichlorophenylAcetophenone, 2',3',4'-trichloro-2',3',4'-Trichloroacetophenone,95%2-Chloro-(3,4-dichlorophenyl)ethanone3,4-dichlorophenacyl chloride ,2-chloro-(3,4-dichlorophenyl)ethanone
RefChem:800082',3',4'TrichloroacetophenoneBXJZZJYNVIDEKG-UHFFFAOYSA-NInChI=1/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H313608-87-21-(2,3,4-trichlorophenyl)ethan-1-oneEthanone, 1-(2,3,4-trichlorophenyl)-MFCD00000542
데이터베이스 식별자
- CAS
13608-87-2- PubChem CID
- 26132
- DTXSID
DTXSID2022256- ChEMBL
CHEMBL1870723- UNII
- 8HVD33N785
- EC Number
- 237-092-9
- Nikkaji
- J265H
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point138 to 147 °F (NTP, 1992)
Physical Description
2',3',4'-trichloroacetophenone is a dark gold-colored solid. (NTP, 1992)
Dark gold-colored solid; [CAMEO] Melting point = 60-64 deg C; Insoluble in water; [MSDSonline]
물리화학적 성질
- 녹는점
- 59 · 59-64 °C(lit.)
- 끓는 점
- 144 °C · 144 °C / 8mmHg
- 밀도
- 1.4736 · 1.4736 (rough estimate)
- 굴절률
- 1.551 · 1.5510 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- BRN
- 1948674 · 1948674
- InChI
- 1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to a related compound include corrosion and lachrymation. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms of exposure to this related compound include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting.
Hazards SummaryA corrosive substance that can cause severe injury to the skin, eyes, mucous membranes and respiratory tract; A lachrymator; May cause chemical pneumonitis after inhalation of high concentrations; [CAMEO] An irritant; [MSDSonline]
Reactive GroupKetones
Reactivity ProfileA related chemical is incompatible with strong oxidizers and strong bases. (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
화학 및 산업
응용 분야
용도2′,3′,4′-Trichloroacetophenone was used in the effective stimulation of 1,2,3,4-tetrachlorodibenzo-p-dioxin (TeCDD) dechlorination.
일반 설명Dark gold-colored solid.
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