2-Amino-4-bromobenzamide

HCID 13805507

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Grundinformationen

CAS: 112253-70-0
Standard-SMILES: NC(=O)c1ccc(Br)cc1N
InChIKey: OFXMSVAQRRUVHA-UHFFFAOYSA-N
Summenformel: C7H7BrN2O
Durchschnittliche Molmasse: 215,05 g/mol
Monoisotopische Masse: 213,97418

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-bromobenzamide
IUPAC: 2-amino-4-bromobenzamide
Englischer Name: 2-Amino-4-bromobenzamide
Summenformel: C7H7BrN2O
Molmasse: 215.05

Namen und Synonyme

2-Amino-4-bromobenzamide112253-70-0DTXSID10550026RefChem:255531DTXCID20500810870-622-22-amino-4-bromo-benzamideBenzamide, 2-amino-4-bromo-MFCD126748094-bromoanthranilic amideSCHEMBL159651AKOS017552343

Weitere Namen anzeigen

AB65645AS-58126SY227188CS-0044167C714054-bromoanthranilamideFT-0747257MEA25370

Datenbank-Bezeichner

CAS: 112253-70-0
PubChem CID: 13805507
DTXSID: DTXSID10550026
EC Number: 870-622-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
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: 176 · 176-177℃
Siedepunkt: 318.8 · 318.8±27.0 °C(Predicted)
Dichte: 1.698 · 1.698±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)
Farbe: Beige
InChI: InChI=1S/C7H7BrN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey: OFXMSVAQRRUVHA-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(Br)C=C1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.