N-Methylsalicylamide

HCID 74624CAS 1862-88-0

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Grundinformationen

Standard-SMILES: CNC(=O)c1ccccc1O
InChIKey: BCKXMQIYWWTZDP-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Namen und Bezeichner

Bevorzugter Name: N-Methylsalicylamide
IUPAC: 2-hydroxy-N-methylbenzamide
Englischer Name: N-Methylsalicylamide
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

N-Methylsalicylamide2-Hydroxy-N-methylbenzamideSalicylmethylamideSalicylamide, N-methyl-Benzamide, 2-hydroxy-N-methyl-NSC 522443QCE3HZ1G0GN-Methyl-o-hydroxybenzamideN-Methyl-2-hydroxybenzamideBRN 1100579UNII-QCE3HZ1G0GNSC-522443

Weitere Namen anzeigen

WLN: QR BVM1n-methyl-salicylamid2-HYDROXY-N-METHYL-BENZAMIDEBenzamide, 2-hydroxy-N-methyl- (9CI)

DTXSID801718683-10-00-00152 (Beilstein Handbook Reference)Benzoic amide, 2-hydroxy-N-methyl-RefChem:163896DTXCID1094359Benzamide, 2-hydroxy-N-methyl-(9CI)833-635-4BCKXMQIYWWTZDP-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 1862-88-0
PubChem CID: 74624
DTXSID: DTXSID80171868
ChEMBL: CHEMBL5590697
UNII: QCE3HZ1G0G
EC Number: 833-635-4
Nikkaji: J48.305B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 89 °C · 89 °C
Siedepunkt: 335.8 · 335.8±25.0 °C(Predicted)
Dichte: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.48 · 8.48±0.35(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2924297099
risk_code: 41
Toxizität: rat,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
safety_code: 26-39