CAS 645-09-0 3-Nitrobenzamide (HCID 12576)

Überblick

M-nitrobenzamide is a yellow powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: 3-Nitrobenzamide
IUPAC: 3-nitrobenzamide
Lokaler Name: 3-Nitrobenzamid
Englischer Name: 3-Nitrobenzamide
Summenformel: C7H6N2O3
Molmasse: 166.13

Namen und Synonyme

3-NitrobenzamideM-NITROBENZAMIDEBenzamide, 3-nitro-DTXSID5025732EINECS 211-431-0NSC 37327BRN 0777185DTXCID605732RefChem:950183-NITROBENZOIC ACID, AMIDE211-431-04-09-00-01061 (Beilstein Handbook Reference)

Weitere Namen anzeigen

3-nitro-benzamidN-nitrobenzamidem-nitro-benzamid3-Nitrobenzamide>Benzamide, m-nitro-3-Nitrobenzamide,98%

KWAYEPXDGHYGRW-UHFFFAOYSA-N645-09-0Benzamide, m-nitro-MFCD000079843-Nitro-benzamideKMU7X7KT5TCHEMBL338567NSC-37327

Datenbank-Bezeichner

CAS: 645-09-0
PubChem CID: 12576
DTXSID: DTXSID5025732
ChEMBL: CHEMBL338567
UNII: KMU7X7KT5T
EC Number: 211-431-0
Nikkaji: J96.213I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 88,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 199

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP0.77

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)

Boiling Point590 to 599 °F at 760 mmHg (NTP, 1992)

Melting Point288.9 °F (NTP, 1992)

Physical DescriptionM-nitrobenzamide is a yellow powder. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-143 °C (lit.)
Siedepunkt: 312.55 °C · 312.55°C
Dichte: 1.4994 · 1.4994 (rough estimate)
Brechungsindex: 1.588 · 1.5880 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder or Crystals
pka: 14.86 · 14.86±0.50(Predicted)
Farbe: Yellow
BRN: 777185 · 777185
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
InChIKey: KWAYEPXDGHYGRW-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=CC([N+]([O-])=O)=C1
CAS Datenbank: 645 · 645-09-0(CAS DataBase Reference)
EPA chemische Informationen: m-Nitrobenzamide (645-09-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)

Reactive GroupAmides and Imides

Reactivity Profile · 1 Eintrag

A nitrated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (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.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

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)