2-클로로-N-페닐아세트아미드
Chloroacetanilide
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기본 정보
- CAS
587-65-5- 표준 SMILES
O=C(CCl)Nc1ccccc1- InChIKey
VONWPEXRCLHKRJ-UHFFFAOYSA-N- 분자식
- C8H8ClNO
- 평균 분자량
- 169.61 g/mol
- 단동위원소 질량
- 169.02944156
이름 및 식별자
- 우선 이름
- Chloroacetanilide
- IUPAC
- 2-chloro-N-phenylacetamide
- 현지명
- 2-클로로-N-페닐아세트아미드
- 영어명
- 2-Chloro-N-phenylacetamide
- 분자식
- C8H8ClNO
- 분자량
- 169.61
이름 및 동의어
2-CHLORO-N-PHENYLACETAMIDE2-Chloroacetanilide587-65-5ChloroacetanilideN-PhenylchloroacetamideN-Phenyl-2-chloroacetamideAcetanilide, 2-chloro-DTXSID3041409alpha-Chloroacetanilide2R6RM9R0W8NSC-311DTXCID1021409
이름 더 보기
2-클로로-N-페닐아세트아미드SKL808AKOS B015615ART-CHEM-BB B0156152-chloro-acetanilidDiclofenac Impurity 24Paracetamol Impurity 8N-(CHLOROACETYL)ANILINE
RefChem:86436209-604-0Acetamide, 2-chloro-N-phenyl-MFCD00018887.alpha.-ChloroacetanilideNSC 311Diclofenac Impurity T.omega.-Chloroacetanilide
데이터베이스 식별자
- CAS
587-65-5- PubChem CID
- 11485
- DTXSID
DTXSID3041409- ChEMBL
CHEMBL2164307- UNII
- 2R6RM9R0W8
- EC Number
- 209-604-0
- Nikkaji
- J33.441C
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP
Log P= 1.63
1.63
Color/FormVery light beige, crystalline powder
SolubilityPractically insoluble
Melting Point86-88 °C
Vapor Pressure0.0000433 [mmHg]
Physical DescriptionLight beige solid; [HSDB]
물리화학적 성질
- 녹는점
- 136 · 136-139 °C (lit.)
- 끓는 점
- 340 · 340.0±25.0 °C(Predicted)
- 밀도
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (95.1%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryAn irritant; May induce methemoglobinemia; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts
2-CHLORO-N-PHENYLACETAMIDE SHOWED RELATIVELY WEAK CHOLINE ACETYLTRANSFERASE INHIBITION ACTIVITY.
The effects of 2-chloroacetanilide (2-CAA), 3-chloroacetanilide (3-CAA) and 4-chloroacetanilide (4-CAA) on liver and kidney function and morphology were examined in rats. Male Fischer 344 rats were given a single ip injection of a chloroacetanilide at 0.5, 1.0 or 1.5 millimole/kg. Renal function was monitored for 24 or 48 hr following dosing. At 24 or 48 hr, liver function and tissue morphology were determined. At the two lower dose levels,all three chloroacetanilide isomers decr food and water intake on day 1 after treatment. Food intake remained depressed in 2-CAA and 3-CAA treated animals on the second day, but water intake was normal. Urinary protein excretion on day 1 was incr only in rats treated with 4-CAA. Blood urea nitrogen concn was not incr in any group at 48 hr while kidney weight was incr only in the 3-CAA treated group. Hepatic weight was incr at 48 hr in rats treated with 3-CAA and 4-CAA. Plasma alanine aminotransferase activity was incr at 48 hr only in the 4-CAA group. In additional studies, renal cortical slices from untreated rats were incubated with a chloroacetanilide or vehicle and the effect on organic ion accumulation was determined. Chloroacetanilides were shown to directly alter renal function in an isomer specific manner.
화학 및 산업
용도 및 제조
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
응용 분야
용도2-Chloro-N-phenylacetamide is used as a reagent in the synthesis of indolylmethylene benzo[h]thiazolo[2,3-b]quinazolinones which exhibit anticancer and antimicrobial activities in vitro.
일반 설명2-Chloro-N-phenylacetamide, also known as chloroacetanilide, can be prepared by reacting aniline with chloroacetylchloride in glacial acetic acid. The analysis of its crystal structure shows the presence of N-H...O hydrogen bonds between the molecules.
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