m-Toluamid

m-Toluamide

HCID 69253

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Grundinformationen

CAS: 618-47-3
Standard-SMILES: Cc1cccc(C(N)=O)c1
InChIKey: WGRPQCFFBRDZFV-UHFFFAOYSA-N
Summenformel: C8H9NO
Durchschnittliche Molmasse: 135,16 g/mol
Monoisotopische Masse: 135,06841391

Namen und Bezeichner

Bevorzugter Name: m-Toluamide
IUPAC: 3-methylbenzamide
Lokaler Name: m-Toluamid
Englischer Name: m-Toluamide
Summenformel: C8H9NO
Molmasse: 135.16

Namen und Synonyme

3-Methylbenzamidem-ToluamideNSC 2170EINECS 210-553-1AI3-26774DTXSID50210798RefChem:154891DTXCID80133289210-553-1WGRPQCFFBRDZFV-UHFFFAOYSA-N618-47-3Benzamide, 3-methyl-

Weitere Namen anzeigen

3-TOLUAMIDEMETA-TOLUAMIDEm-Toluamide,99%TIMTEC-BB SBB0078613-Methylbenzamide 99%Benzamide, 3-methyl- (9CI)

m-Methylbenzamide3-Methyl-benzamideMFCD00007990NSC2170SCHEMBL12798CHEMBL123572NSC-2170BDBM50106189

Datenbank-Bezeichner

CAS: 618-47-3
PubChem CID: 69253
DTXSID: DTXSID50210798
ChEMBL: CHEMBL123572
EC Number: 210-553-1
Nikkaji: J134.612A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-96 °C
Siedepunkt: 248.86 °C · 248.86°C (rough estimate)
Dichte: 1.1031 · 1.1031 (rough estimate)
Brechungsindex: 1.5635 · 1.5635 (rough estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 16.11 · 16.11±0.50(Predicted)
Farbe: White to Off-White
BRN: 1857374 · 1857374
InChI: 1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: WGRPQCFFBRDZFV-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)C(N)=O
CAS Datenbank: 618 · 618-47-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.