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19227-13-5

Basic Information
CAS No.: 19227-13-5
Name: 4-Methylbenzamide oxime
Article Data: 133
Molecular Structure:
Molecular Structure of 19227-13-5 (4-Methylbenzamide oxime)
Formula: C8H10N2O
Molecular Weight: 150.18
Synonyms: N-hydroxy-4-methyl-benzamidine;N-hydroxy-4-methyl-benzenecarboximidamide;p-Tolamidoxime;Benzenecarboximidamide, N-hydroxy-4-methyl-;p-Toluamidoxime;p-Toluamide oxime;
Density: 1.15 g/cm3
Melting Point: 140-145 °C(lit.)
Boiling Point: 258.052 °C at 760 mmHg
Flash Point: 109.866 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 58.61000
LogP: 1.78980
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Chemistry


IUPAC Name: N'-hydroxy-4-methylbenzenecarboximidamide
Molecular Formula: C8H10N2O
Molecular Weight: 150.18 g/mol
Canonical SMILES: CC1=CC=C(C=C1)C(=NO)N
InChI: InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
Mol File: 19227-13-5.mol
Product Categories: Oxime; pharmacetical
XLogP3: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 7
Exact Mass: 150.079313
MonoIsotopic Mass: 150.079313
Topological Polar Surface Area: 58.6
Heavy Atom Count: 11
Complexity: 148
Index of Refraction: 1.564 
Molar Refractivity: 42.49 cm3 
Molar Volume: 130.6 cm3 
Polarizability: 16.84×10-24cm
Surface Tension: 42.5 dyne/cm 
Density: 1.14 g/cm3 
Flash Point: 144 °C 
Enthalpy of Vaporization: 58.66 kJ/mol 
Boiling Point:  314.4 °C at 760 mmHg 
Melting Point: 140-145 °C(lit.)
Vapour Pressure of 4-Methylbenzamide oxime (CAS NO.19227-13-5): 0.000198 mmHg at 25 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04182,

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3 
RTECS: XS4870000 
Hazard Note: Irritant
HazardClass of 4-Methylbenzamide oxime (CAS NO.19227-13-5): Irritant

Specification

  4-Methylbenzamide oxime (CAS NO.19227-13-5), its Synonyms are 4-Methylbenzamidoxime ; Benzenecarboximidamide, N-hydroxy-4-methyl- ; p-Tolamidoxime ; p-Toluamide oxime ; p-Toluamidoxime ; N'-hydroxy-4-Methylbenzenecarboximidamide ; BUTTPARK33\11-54 ; ART-CHEM-BB B022751 .