N-Methylsalicylamide

HCID 74624

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Basic information

CAS: 1862-88-0
Standard SMILES: CNC(=O)c1ccccc1O
InChIKey: BCKXMQIYWWTZDP-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: N-Methylsalicylamide
IUPAC: 2-hydroxy-N-methylbenzamide
English name: N-Methylsalicylamide
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 89 °C · 89 °C
Boiling point: 335.8 · 335.8±25.0 °C(Predicted)
Density: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 8.48 · 8.48±0.35(Predicted)
Appearance: Brown to reddish brown Solid
EWG's Food Scores: 1 · 1
FDA UNII: 3 HZ1G0G · QCE3HZ1G0G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P305+P351+P338-P362+P364
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HS Code: 2924297099 · 2924297099
Toxicity: 50 · rat,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

hs_code: 2924297099
Toxicity: rat,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-39
Hazard statements: H319-H335-H302+H312+H332-H315
Precautionary statements: P280-P305+P351+P338-P362+P364