4'-Aminobenzanilid

Benzamide, N-(4-aminophenyl)-

HCID 87196CAS 17625-83-1

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Grundinformationen

Standard-SMILES: Nc1ccc(NC(=O)c2ccccc2)cc1
InChIKey: GTTFJYUWPUKXJH-UHFFFAOYSA-N
Summenformel: C13H12N2O
Durchschnittliche Molmasse: 212,25 g/mol
Monoisotopische Masse: 212,09496301

Namen und Bezeichner

Bevorzugter Name: Benzamide, N-(4-aminophenyl)-
IUPAC: N-(4-aminophenyl)benzamide
Lokaler Name: 4'-Aminobenzanilid
Englischer Name: 4'-Aminobenzanilide
Summenformel: C13H12N2O
Molmasse: 212.25

Namen und Synonyme

17625-83-1N-(4-Aminophenyl)benzamideBenzamide, N-(4-aminophenyl)-EINECS 241-603-0DTXSID2066228RefChem:117151DTXCID1035608GTTFJYUWPUKXJH-UHFFFAOYSA-NInChI=1/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,164'-AminobenzanilideMFCD00035777n-(4-Aminophenyl)-benzamide

Weitere Namen anzeigen

4-AMINOBENZANILIDEAKOS BB-8148ASISCHEM X23020AminobenzanilideP-AMINOBENZANILIDETIMTEC-BB SBB009760ART-CHEM-BB B025194LABOTEST-BB LT00052391Aminobenzaldehydepolymer

N-(4-Amino-phenyl)-benzamideBenzoic Acid-(4-amino-anilide); N-(4-Amino-phenyl)-benzamide;4\'-AminobenzanilideN-benzoyl 4-aminoaniline4 inverted exclamation mark -AminobenzanilideCBMicro_0164354'-Aminobenzanilide, 95%6ZAH652RVV

Datenbank-Bezeichner

CAS: 17625-83-1
PubChem CID: 87196
DTXSID: DTXSID2066228
ChEMBL: CHEMBL260457
UNII: 6ZAH652RVV
EC Number: 241-603-0
Nikkaji: J82.653G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Schmelzpunkt: 127 · 127-131 °C(lit.)
Siedepunkt: 308.6 · 308.6±25.0 °C(Predicted)
Dichte: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Soluble in DMSO and methanol.
pka: 13.14 · 13.14±0.70(Predicted)
Aggregatzustand: Solid
Farbe: Brown
InChI: 1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey: GTTFJYUWPUKXJH-UHFFFAOYSA-N
SMILES: Nc1ccc(NC(=O)c2ccccc2)cc1
CAS Datenbank: 17625 · 17625-83-1(CAS DataBase Reference)
NIST chemische Informationen: Benzamide, n-(4-aminophenyl)-(17625-83-1)
EPA chemische Informationen: Benzamide, N-(4-aminophenyl)- (17625-83-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzamide, N-(4-aminophenyl)-: ACTIVE

Anwendungen

Verwenden4'-Aminobenzanilide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field. It has anticonvulsant property.