Salicylanilide (HCID 6872)

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: Salicylanilide
IUPAC: 2-hydroxy-N-phenylbenzamide
Lokaler Name: Salicylanilid
Englischer Name: Salicylanilide
Summenformel: C13H11NO2
Molmasse: 213.23

Namen und Synonyme

SALICYLANILIDE87-17-22-Hydroxy-N-phenylbenzamideSalinidolN-PhenylsalicylamideSalinideBenzamide, 2-hydroxy-N-phenyl-SalicylanilidSalifebrinAnsadolSalnideSalicylic acid anilide

Weitere Namen anzeigen

Bpc-15Bpc15C26H22N2O4ASKSA88CHIFHsk1DBF4AZDBF1

Shirlan Extrao-HydroxybenzanilideAseptolanHyanilidSherstat SLNShirlan AG2-N-PhenylcarboxamidophenolAnilid kyseliny salicylove

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 236

Experimentelle und physikochemische Eigenschaften

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 · 3 Einträge

145.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7021784]

139.16 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

143.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-138 °C (lit.)
Siedepunkt: 353.22 °C · 353.22°C (rough estimate)
Dichte: 1.1544 · 1.1544 (rough estimate)
Brechungsindex: 1.57 · 1.5700 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 2 O: · H2O: slightly soluble
Aggregatzustand: buffered aqueous glycerol solution
pka: 7.11 · 7.11±0.10(Predicted)
Farbe: White to Almost white
PH: 7 · 7-7.5 (50g/l, H2O, 25℃)
Biologische Quelle: goat
Wasserlöslichkeit: SLIGHTLY SOLUBLE
Merck: 14 · 14,8330
BRN: 1108135 · 1108135
InChI: 1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)
InChIKey: WKEDVNSFRWHDNR-UHFFFAOYSA-N
SMILES: Oc1ccccc1C(=O)Nc2ccccc2
CAS Datenbank: 87 · 87-17-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzamide, 2-hydroxy-N-phenyl-(87-17-2)
EPA chemische Informationen: Salicylanilide (87-17-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9 / PGIII
hs_code: 29242995
RTECS-Nr.: VN7850000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: 9
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Selbstentzündungstemperatur: >300 °C

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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

Farming (Pesticides) [Category: Industry]

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

Anwendungen

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