CAS 2011-66-7 2-Amino-5-nitro-2'-chlorobenzophenone (HCID 74830)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 2011-66-7
Standard-SMILES: Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl
InChIKey: GRDGBWVSVMLKBV-UHFFFAOYSA-N
Summenformel: C13H9ClN2O3
Durchschnittliche Molmasse: 276,67 g/mol
Monoisotopische Masse: 276,0301698

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-nitro-2'-chlorobenzophenone
IUPAC: (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone
Lokaler Name: 2-Amino-2'-chlor-5-nitrobenzophenon
Englischer Name: 2-Amino-2'-chloro-5-nitro benzophenone
Summenformel: C13H9ClN2O3
Molmasse: 276.68

Namen und Synonyme

2011-66-72-Amino-2'-chloro-5-nitrobenzophenone2-Amino-5-nitro-2'-chlorobenzophenoneRL4AJ2Z1GRDTXSID20173927RefChem:463299DTXCID7096418217-929-4(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone2-Amino-2'-chloro-5-nitro benzophenoneMETHANONE, (2-AMINO-5-NITROPHENYL)(2-CHLOROPHENYL)-chlorobenzophenone

Weitere Namen anzeigen

2-AMINO-5-NITRO-2-CHLOROBENZOPHENONE2-Amino-2-chLClonazepam USP RC BClonazepam Impurity 2oro-5-nitro benzophenoneClonazepam Impurity B(USP)Clonazepam, acid hydrolyzed-fluoro-5-bromobenzophenone-chloro-5-nitro benzophenone

(2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone2-(2-chlorobenzoyl)-4-nitroaniline(2-Amino-5-nitro-phenyl)-(2-chloro-phenyl)-methanoneClonazepam EP Impurity A2-Amino-5-nitro-2'-MFCD007924532-Amino-5-nitro-2'-chlorbenzophenone2-amino-5-nitrophenyl 2-chlorophenyl ketone

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 88,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 358

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

2470；2470；2470；2494；2516

2470

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119-121°C
Siedepunkt: 505.8 · 505.8±45.0 °C(Predicted)
Dichte: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: -3.12 · -3.12±0.36(Predicted)
Aggregatzustand: Powder
Farbe: Pale yellow to yellow
BRN: 2814216 · 2814216
Major Application: pharmaceuticalpharmaceutical small molecule
InChI: InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 40% (4 of 10) of reports.

Warning

H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (40%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, 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 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 10 reports by companies.；There are 4 notifications provided by 6 of 10 reports by companies with hazard statement code(s).；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.