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N-Methylbenzamid

N-Methylbenzamide

HCID 11954
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Grundinformationen

CAS
613-93-4
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

N-METHYLBENZAMIDE613-93-4Benzamide, N-methyl-N-MethylbenzenamideN-MethylbenzenecarboxamideDTXSID5025570K3ED781E08NSC-42944DTXCID605570RefChem:163800210-362-3N-Methyl-benzamide
Weitere Namen anzeigen
1MVRn-methyl-benzamidN-Methylbenzamide, 95%N-METHYLBENZAMIDE, 99+%N-MethylbenzaMide, 99+% 10GR
MFCD00011642CCRIS 4670EINECS 210-362-3NSC 42944BRN 1209880UNII-K3ED781E08AI3-01069N-methyl benzamide

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

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.05
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling Point556 °F at 760 mmHg (NTP, 1992)
Melting Point180 °F (NTP, 1992)
Vapor Pressure0.00052 [mmHg]
Physical Description · 2 Einträge

N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)

Off-white solid; [CAMEO] Off-white crystalline powder; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 2 Einträge

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.

Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides
Reactivity Profile · 1 Eintrag

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).

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzamide, N-methyl-: INACTIVE

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.

Zugehörige Reaktionen

37
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 46808
HRID 46808als Eduktuspto-grants-1979_11
Reaktionsgleichung von HRID 209015
HRID 209015als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 247617
HRID 247617als Eduktuspto-grants-1987_11
Reaktionsgleichung von HRID 267748
HRID 267748als Eduktuspto-grants-1976_03
Reaktionsgleichung von HRID 343468
HRID 343468als Produktuspto-grants-1999_01
Reaktionsgleichung von HRID 343469
HRID 343469als Produktuspto-grants-1999_01
Reaktionsgleichung von HRID 370911
HRID 370911als Eduktuspto-grants-1985_07
Reaktionsgleichung von HRID 600383
HRID 600383als Eduktuspto-grants-2011_03
Seite 1 von 5

Notizen zur Verbindung

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Neue NotizNeue ReaktionAnfrage stellen
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)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material 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: 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) · 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)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
2924299090
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