Grundinformationen
- Standard-SMILES
CNC(=O)c1ccccc1- InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-N- Summenformel
- C8H9NO
- Durchschnittliche Molmasse
- 135,16 g/mol
- Monoisotopische Masse
- 135,06841391
Überblick
N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- N-Methylbenzamide
- IUPAC
- N-methylbenzamide
- Lokaler Name
- N-Methylbenzamid
- Englischer Name
- N-Methylbenzamide
- Summenformel
- C8H9NO
- Molmasse
- 135.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
613-93-4- PubChem CID
- 11954
- DTXSID
DTXSID5025570- ChEMBL
CHEMBL275261- UNII
- K3ED781E08
- EC Number
- 210-362-3
- Nikkaji
- J47.669B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Physical Description
N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)
Off-white solid; [CAMEO] Off-white crystalline powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-78 °C (lit.)
- Siedepunkt
- 167 °C/11 · 167 °C/11 mmHg (lit.)
- Dichte
- 1.1031 · 1.1031 (rough estimate)
- Brechungsindex
- 1.5589 · 1.5589 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 50 mg/mL, · ethanol: soluble50mg/mL, clear, yellow-green
- pka
- 15 · 15.00±0.46(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- Wasserlöslichkeit
- Insoluble in water.
- InChI
- InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
- InChIKey
- NCCHARWOCKOHIH-UHFFFAOYSA-N
- SMILES
- C(NC)(=O)C1=CC=CC=C1
- CAS Datenbank
- 613 · 613-93-4(CAS DataBase Reference)
- EPA chemische Informationen
- N-Methylbenzamide (613-93-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzamide, N-methyl-
N-methylbenzamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Reactivity Profile
N-METHYLBENZAMIDE is an amide. 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).
Sicherheit und Schutzausrüstung
First Aid
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
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, 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 contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
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)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29242990
- RTECS-Nr.
- CV5570000
- risk_code
- 20/21/22-22
- hazard_code
- Xn
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenN-Methylbenzamide is an important pesticide intermediate. It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor.
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