2'-Nitroacetophenon

2'-Nitroacetophenone

HCID 11346CAS 577-59-3

Grundinformationen

Standard-SMILES
CC(=O)c1ccccc1[N+](=O)[O-]
InChIKey
SUGXZLKUDLDTKX-UHFFFAOYSA-N
Summenformel
C8H7NO3
Durchschnittliche Molmasse
165,15 g/mol
Monoisotopische Masse
165,04259309

Namen und Bezeichner

Bevorzugter Name
2'-Nitroacetophenone
IUPAC
1-(2-nitrophenyl)ethanone
Lokaler Name
2'-Nitroacetophenon
Englischer Name
2-Nitroacetophenone
Summenformel
C8H7NO3
Molmasse
165.15

Namen und Synonyme

2'-Nitroacetophenone1-(2-Nitrophenyl)ethanone2-NitroacetophenoneO-NITROACETOPHENONE2-AcetylnitrobenzeneEthanone, 1-(2-nitrophenyl)-1-acetyl-2-nitrobenzeneUNII-52L53K4X3OCCRIS 2329DTXSID6025723BRN 1102322NSC 3641
Weitere Namen anzeigen
AKOS 233-65AURORA 14018AKOS BBS-000032202-Nitroacetophene2'-Nitroacetophne2’-nitro-acetophenon
EINECS 209-414-8CCRIS-232952L53K4X3ONSC-3641NITROACETOPHENONE, O-DTXCID705723METHYL O-NITROPHENYL KETONE4-07-00-00655 (Beilstein Handbook Reference)

Datenbank-Bezeichner

CAS
577-59-3
PubChem CID
11346
DTXSID
DTXSID6025723
ChEMBL
CHEMBL1881120
UNII
52L53K4X3O
EC Number
209-414-8
Nikkaji
J835D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
62,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

SolubilityInsoluble (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Boiling Point316 °F at 16 mmHg (NTP, 1992)
Melting Point82 to 84 °F (NTP, 1992)
Physical DescriptionO-nitroacetophenone is a clear yellow liquid. Insoluble in water. (NTP, 1992)
Kovats Retention Index · 2 Einträge

1361.3

1456.5

Physikochemische Eigenschaften

Schmelzpunkt
76 · 76-78 °C(lit.)
Siedepunkt
202 °C · 202 °C(lit.)
Dichte
1.23 · 1.23
Brechungsindex
20 · n20/D 1.55(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.;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

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2'-Nitroacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is combustible. (NTP, 1992)
Reactive GroupKetones;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 Eintrag

A nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Regulatorische Informationen

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2'-Nitroacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29147090
RTECS-Nr.
AM9625000
risk_code
22
hazard_code
Xn

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-(2-nitrophenyl)-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden2'-Nitroacetophenone is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuff. It is also used as a synthetic reagent. It is the sensitizer which can be used as pharmaceutical intermediates.

Darstellung · 1 Eintrag

synthetischeo-Nitroacetophenone is synthesized from o-nitroethylbenzene by oxidation. Add o-nitroethylbenzene, decanoic acid and initiator azobisisobutyronitrile into the reaction tower, and at the same time slowly pass air into the tower, keep the pressure at 0.3-0.8MPa, and control the oxidation at 120-130°C to generate 2-Nitroacetophenone.

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