살리실아닐라이드

Salicylanilide

HCID 6872CAS 87-17-2
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기본 정보

표준 SMILES
O=C(Nc1ccccc1)c1ccccc1O
InChIKey
WKEDVNSFRWHDNR-UHFFFAOYSA-N
분자식
C13H11NO2
평균 분자량
213.23 g/mol
단동위원소 질량
213.07897859

개요

Salicylanilide is an amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. It is a member of salicylamides, a member of salicylanilides and a benzanilide fungicide.

이름 및 식별자

우선 이름
Salicylanilide
IUPAC
2-hydroxy-N-phenylbenzamide
현지명
살리실아닐라이드
영어명
Salicylanilide
분자식
C13H11NO2
분자량
213.23

이름 및 동의어

SALICYLANILIDE87-17-22-Hydroxy-N-phenylbenzamideSalinidolN-PhenylsalicylamideSalinideBenzamide, 2-hydroxy-N-phenyl-SalicylanilidSalifebrinAnsadolSalnideSalicylic acid anilide
이름 더 보기
살리실아닐라이드살리실ANILI데Bpc-15Bpc15C26H22N2O4ASKSA88CHIFHsk1DBF4AZDBF1
Shirlan Extrao-HydroxybenzanilideAseptolanHyanilidSherstat SLNShirlan AG2-N-PhenylcarboxamidophenolAnilid kyseliny salicylove

데이터베이스 식별자

CAS
87-17-2
PubChem CID
6872
DTXSID
DTXSID7021784
ChEMBL
CHEMBL82970
ChEBI
CHEBI:239133
UNII
LHP8NEY345
EC Number
201-727-8
Nikkaji
J4.273K

물성

구조 계산 물성

XLogP
3.3
극성 표면적
49.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
16

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
PesticidesPesticides -> Fungicides
LogP3.25
Vapor Pressure0.00000002 [mmHg]
Physical DescriptionOdorless solid; [Merck Index] Light tan powder; [Alfa Aesar MSDS]
Collision Cross Section · 3건

145.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7021784]

139.16 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

143.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
136 · 136-138 °C (lit.)
끓는 점
353.22 °C · 353.22°C (rough estimate)
밀도
1.1544 · 1.1544 (rough estimate)
굴절률
1.57 · 1.5700 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
2 O: · H2O: 약간 용해됨

화학적 성질

greyish-brownish powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.8% (10 of 560) of reports.

Warning

H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 560 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzamide, 2-hydroxy-N-phenyl-

Salicylanilide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.2%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
VN7850000
ridadr
UN 3077 9 / PGIII
HS 번호
29242995
risk_code
36/37/38

화학 및 산업

용도 및 제조

Uses · 2건

Used as an anti-mildew agent, fungicide, and topical antifungal; [Merck Index]

Farming (Pesticides) [Category: Industry]

General Manufacturing InformationBenzamide, 2-hydroxy-N-phenyl-: ACTIVE

응용 분야

용도Salicylanilides are compounds of varying biological activity ranging from anti-inflammatory agents to antiviral and antimicrobial agents.

일반 설명Salicylanilide inhibited mycobacterial isocitrate lyase (ICL) and showed a significant antimycobacterial effect.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명

정의ChEBI: An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.

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