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1218-35-5

Basic Information
CAS No.: 1218-35-5
Name: Xylometazoline hydrochloride
Molecular Structure:
Molecular Structure of 1218-35-5 (Xylometazoline hydrochloride)
Formula: C16H25ClN2
Molecular Weight: 280.841
Synonyms: 1H-Imidazole,2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-,monohydrochloride (9CI);2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-,monohydrochloride (8CI);Brizolin;Galazolin;Neo-Rinoleina;Neo-Synephrine II;Novorin;Olynth;Otrivin hydrochloride;Otrivine;Otrivine hydrochloride;Therapin;Xymelin;
EINECS: 214-936-4
Density: ==
Melting Point: 131-133 °C
Boiling Point: 394.2 °C at 760 mmHg
Flash Point: 192.2 °C
Appearance: white to off-white crystalline powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38
Safety: 36-26
Transport Information: UN 2811 6.1/PG 3
PSA: 24.39000
LogP: 3.71150
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Chemistry

Molecular structure of Xylometazoline hydrochloride (CAS NO.1218-35-5) is:

Product Name: Xylometazoline hydrochloride
CAS Registry Number: 1218-35-5
IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
Molecular Weight: 280.8361 [g/mol]
Molecular Formula: C16H25ClN2
H-Bond Donor: 1
H-Bond Acceptor: 2
EINECS: 214-936-4
Melting Point: 131-133 °C
Flash Point: 192.2 °C
Enthalpy of Vaporization: 61.91 kJ/mol
Boiling Point: 394.2 °C at 760 mmHg
Vapour Pressure: 4.56E-06 mmHg at 25°C
Other Registry Number: 28096-10-8 ;8057-34-9
Related Registry Number: 526-36-3 (Parent) 
Product Categories: Miscellaneous Natural Products;Adrenoceptor

Uses

 Xylometazoline hydrochloride (CAS NO.1218-35-5) is used for the α-adrenergic agonists ligand, with the role of contraction in vascular.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12500ug/kg (12.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.
mouse LD50 oral 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.
mouse LD50 subcutaneous 53mg/kg (53mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.
rat LD50 intraperitoneal 43mg/kg (43mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.
rat LD50 oral 230mg/kg (230mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.
rat LD50 subcutaneous 90mg/kg (90mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 555, 1971.

Safety Profile

Hazard Codes HarmfulXn,Xi
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-26 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: NJ2390000

Specification

 Xylometazoline hydrochloride  , its cas register number is 1218-35-5. It also can be called 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochloride ; 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, hydrochloride (1:1) ; 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-, monohydrochloride .