4,4'-Diaminobenzanilid

4,4'-Diaminobenzanilide

HCID 69917CAS 785-30-8

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Grundinformationen

Standard-SMILES: Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N
Summenformel: C13H13N3O
Durchschnittliche Molmasse: 227,26 g/mol
Monoisotopische Masse: 227,10586204

Überblick

not carcinogenic

Namen und Bezeichner

Bevorzugter Name: 4,4'-Diaminobenzanilide
IUPAC: 4-amino-N-(4-aminophenyl)benzamide
Lokaler Name: 4,4'-Diaminobenzanilid
Englischer Name: 4,4'-Diaminobenzanilide
Summenformel: C13H13N3O
Molmasse: 227.26

Namen und Synonyme

4,4'-Diaminobenzanilide785-30-8Benzamide, 4-amino-N-(4-aminophenyl)-4-Aminobenzoyl-4'-aminoanilidep,p'-DiaminobenzanilideBenzanilide, 4,4'-diamino-00X4JM89UHDTXSID4020400DTXCID40400NSC-37092RefChem:96225212-321-5

Weitere Namen anzeigen

DABA4,4'-DabaDiaminoben4,4 DIAMINO BENZANILIDE4,4’-diaminobenzanllide4,42-DiaminobenzanilideDIAMINOBENZANILIDE(4,4'-)

4-Amino-N-(4-aminophenyl)benzamide4,4-DiaminobenzanilideUNII-00X4JM89UHBenzanilide,4'-diamino-MFCD00025361Oprea1_6971674,4'-Diaminobenzanilide, 98%4,4'-Diaminobenzanilide (DABA)

Datenbank-Bezeichner

CAS: 785-30-8
PubChem CID: 69917
DTXSID: DTXSID4020400
ChEMBL: CHEMBL350416
UNII: 00X4JM89UH
EC Number: 212-321-5
Nikkaji: J7.093I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 81,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 205 · 205-207 °C(lit.)
Siedepunkt: 384 · 384.0±27.0 °C(Predicted)
Dichte: 1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Wasserlöslichkeit: Practically insoluble in water
Aggregatzustand: powder to crystal
pka: 13.99 · 13.99±0.70(Predicted)
Farbe: White to Brown
BRN: 2215469 · 2215469
InChI: InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N
SMILES: C(NC1=CC=C(N)C=C1)(=O)C1=CC=C(N)C=C1
CAS Datenbank: 785 · 785-30-8(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzamide, 4-amino-N-(4-aminophenyl)- (785-30-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 14.8% (8 of 54) of reports.

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23568

Benzamide, 4-amino-N-(4-aminophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.