2-클로로-N-페닐아세트아미드

Chloroacetanilide

HCID 11485CAS 587-65-5

기본 정보

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 물성

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

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP · 2건

Log P= 1.63

1.63

Color/FormVery light beige, crystalline powder
SolubilityPractically insoluble
Melting Point86-88 °C

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
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 1건

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 · 2건

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.

안전 데이터

wgk
3
rtecs
AE1000000
HS 번호
2921420090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

용도 및 제조

UsesNot commercially produced in the US; [HSDB]
U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

응용 분야 · 2건

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.

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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