2-Amino-4-chlorobenzamide

HCID 12374837

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Grundinformationen

CAS: 5900-59-4
Standard-SMILES: NC(=O)c1ccc(Cl)cc1N
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
Summenformel: C7H7ClN2O
Durchschnittliche Molmasse: 170,59 g/mol
Monoisotopische Masse: 170,0246905

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-chlorobenzamide
IUPAC: 2-amino-4-chlorobenzamide
Englischer Name: 2-amino-4-chlorobenzamide
Summenformel: C7H7ClN2O
Molmasse: 170.6

Namen und Synonyme

2-amino-4-chlorobenzamide5900-59-4DTXSID20495035RefChem:85192DTXCID90445845809-310-82-Amino-4-chloro-benzamideMFCD09042792Benzamide, 2-amino-4-chloro-2-Amino-4-chlorbenzamid2-Amino4-chlorobenzamideSCHEMBL160570

Weitere Namen anzeigen

4-Chloroanthranilamide2-aMino-4-chlrobenzaMide2-amino-4-chlorophenylformamide2-amino-4-chlorobenzamide(SALTDATA: FREE)

SCHEMBL1805947QNEJYHVIYJFNHC-UHFFFAOYSA-NBBL022498STL253498AKOS000113641CS-W003587SB37819FA140221

Datenbank-Bezeichner

CAS: 5900-59-4
PubChem CID: 12374837
DTXSID: DTXSID20495035
EC Number: 809-310-8
Nikkaji: J2.077.305G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 69,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 181.5 °C · 181.5 °C
Siedepunkt: 308.8 · 308.8±27.0 °C(Predicted)
Dichte: 1.394 · 1.394±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 15.48 · 15.48±0.50(Predicted)
InChI: 1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
SMILES: O=C(N)C(C(N)=C1)=CC=C1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.