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16822-88-1

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Basic Information
CAS No.: 16822-88-1
Name: 2-(2-amino-5-fluorobenzyl)-4,5-dihydro-1H-imidazol-1-ium chloride
Molecular Structure:
Molecular Structure of 16822-88-1 (2-(2-amino-5-fluorobenzyl)-4,5-dihydro-1H-imidazol-1-ium chloride)
Formula: C10H12 F N3 . Cl H
Molecular Weight: 229.71
Synonyms: 1H-Imidazol-2-amine,N-(5-fluoro-2-methylphenyl)-4,5-dihydro-, monohydrochloride (9CI);2-Imidazoline, 2-(5-fluoro-o-toluidino)-, monohydrochloride (8CI); Flutonidinehydrochloride
Boiling Point: 416.4°C at 760 mmHg
Flash Point: 205.6°C
Hazard Symbols: 3
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, HCl, and F−.
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    1H-Imidazol-2-amine,N-(5-fluoro-2-methylphenyl)-4,5-dihydro-, hydrochloride (1:1)

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  • N-(5-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

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    N-(5-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

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Chemistry

Product Name: Flutonidine hydrochloride (CAS NO.16822-88-1)


Molecular Formula: C10H12FN3•ClH
Molecular Weight: 229.71g/mol
Mol File: 16822-88-1.mol
Boiling point: 416.4 °C at 760 mmHg
Flash Point: 205.6 °C
Enthalpy of Vaporization: 66.96 kJ/mol
Vapour Pressure: 3.83E-07 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Flutonidine hydrochloride (CAS NO.16822-88-1):
  IUPAC Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-4-fluoroaniline chloride
  Canonical SMILES: C1CN=C([NH2+]1)CC2=C(C=CC(=C2)F)N.[Cl-]
  InChI: InChI=1S/C10H12FN3.ClH/c11-8-1-2-9(12)7(5-8)6-10-13-3-4-14-10;/h1-2,5H,3-4,6,12H2,(H,13,14);1H 
  InChIKey: PRUPOOUYYCMJKV-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31mg/kg (31mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 786, 1975.
rat LD50 intravenous 47mg/kg (47mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Toxicological Sciences. Vol. 11, Pg. 67, 1986.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, HCl, and F−.

Specification

 Flutonidine hydrochloride , its CAS NO. is 16822-88-1, the synonyms are 2-(2-Methyl-5-fluorophenylamino)-2-imidazoline hydrochloride ; 2-(5-Fluoro-o-toluidino)-2-imidazoline hydrochloride ; St 600-Cl ; 1H-Imidazol-2-amine, 4,5-dihydro-N-(5-fluoro-2-methylphenyl)-, monohydrochloride (9CI) ; 1H-Imidazol-2-amine, N-(5-fluoro-2-methylphenyl)-4,5-dihydro-, monohydrochloride (9CI) ; 2-Imidazoline, 2-(5-fluoro-o-toluidino)-, monohydrochloride .