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Basic Information
CAS No.: 621-92-1
Name: N-benzyl-4-hydroxyanilinium chloride
Molecular Structure:
Molecular Structure of 621-92-1 (N-benzyl-4-hydroxyanilinium chloride)
Formula: C13H13 N O . Cl H
Molecular Weight: 235.73
Synonyms: Phenol,4-[(phenylmethyl)amino]-, hydrochloride (9CI); Phenol, p-(benzylamino)-,hydrochloride (7CI,8CI)
Boiling Point: 369°C at 760 mmHg
Flash Point: 159.1°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
PSA: 32.26000
LogP: 3.87930
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Chemistry

Molecule structure of Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1):

IUPAC Name: Benzyl-(4-hydroxyphenyl)azanium chloride 
Molecular Weight: 235.70936 g/mol
Molecular Formula: C13H14ClNO 
Boiling Point: 369 °C at 760 mmHg
Flash Point: 159.1 °C
Enthalpy of Vaporization: 63.99 kJ/mol
Vapour Pressure: 5.78E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 235.076392
MonoIsotopic Mass: 235.076392
Topological Polar Surface Area: 36.8
Heavy Atom Count: 16
Complexity: 169
Canonical SMILES: C1=CC=C(C=C1)C[NH2+]C2=CC=C(C=C2)O.[Cl-]
InChI: InChI=1S/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H
InChIKey: JBXHUWBBVGSDJX-UHFFFAOYSA-N
EINECS of Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1): 210-715-1

Toxicity Data With Reference

1.    

orl-rat LDLo:400 mg/kg

     KODAK*    Kodak Company Reports. (343 State St., Rochester, NY 14650)
2.    

ipr-rat LD50:100 mg/kg

     KODAK*    Kodak Company Reports. (343 State St., Rochester, NY 14650)

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.

Specification

 Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1) is also named as NSC 8079 ; N-Benzyl-4-hydroxyanilinium chloride ; Phenol, 4-((phenylmethyl)amino)-, hydrochloride ; Phenol, 4-((phenylmethyl)amino)-, hydrochloride (1:1) ; Phenol, p-(benzylamino)-, hydrochloride .