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98593-51-2

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Basic Information
CAS No.: 98593-51-2
Name: 4-(Methylsulphonyl)benzylamine hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 98593-51-2 (4-(Methylsulphonyl)benzylamine hydrochloride)
Formula: C8H11NO2S.HCl
Molecular Weight: 221.708
Synonyms: Benzenemethanamine,4-(methylsulfonyl)-, hydrochloride (9CI);Benzylamine, p-(methylsulfonyl)-,hydrochloride (6CI);4-(Methylsulfonyl)benzylamine monohydrochloride;4-Methanesulfonylbenzylamine hydrochloride;4-Methylsulfonylbenzylaminehydrochloride;
Density: 1.225g/cm3
Melting Point: 272-274 °C
Boiling Point: 369.9 °C at 760 mmHg
Flash Point: 177.5 °C
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25
PSA: 68.54000
LogP: 3.13190
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Chemistry


IUPAC Name: (4-Methylsulfonylphenyl)methylazanium chloride 
Empirical Formula: C8H12ClNO2S
Molecular Weight: 221.7044
Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C[NH3+].[Cl-]
InChI: InChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
InChIKey: NRXMOYDZMKXKMJ-UHFFFAOYSA-N
H-Bond Donor: 1
H-Bond Acceptor: 3
Melting Point: 272-274 °C
Flash Point: 177.5 °C
Enthalpy of Vaporization: 61.67 kJ/mol
Boiling Point: 369.9 °C at 760 mmHg
Vapour Pressure: 1.15E-05 mmHg at 25 °C
Classification Code of 4-(Methylsulphonyl)benzylamine hydrochloride (CAS NO.98593-51-2): Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intramuscular 3500mg/kg (3500mg/kg)   Lancet. Vol. 2, Pg. 523, 1944.
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   Lancet. Vol. 2, Pg. 523, 1944.

Safety Profile

Hazard Codes: CorrosiveC,IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
Hazard Note of 4-(Methylsulphonyl)benzylamine hydrochloride (CAS NO.98593-51-2): Corrosive

Specification

  4-(Methylsulphonyl)benzylamine hydrochloride (CAS NO.98593-51-2), its Synonyms are V 335 ; p-(Methylsulfonyl)benzylamine hydrochloride ; p-Methylsulphonylbenzylamine hydrochloride ; Benzylamine, p-(methylsulfonyl)-, hydrochloride .