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Arecoline hydrobromide

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Arecoline hydrobromide

EINECS 206-087-3
CAS No. 300-08-3 Density
Solubility 0.1 g/mL in water Melting Point 171-175 °C
Formula C8H14BrNO2 Boiling Point 209 °C at 760 mmHg
Molecular Weight 236.14 Flash Point 81.1 °C
Transport Information Appearance white fine powder
Safety 45-38-36/37/39-28A Risk Codes 22-23/24/25
Molecular Structure Molecular Structure of 300-08-3 (Arecoline hydrobromide) Hazard Symbols HarmfulXn, ToxicT
Synonyms

3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide (9CI);Nicotinicacid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide (8CI);Arecolinebromide;

 

Arecoline hydrobromide Chemical Properties

IUPAC NAME: Methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide
EINECS: 206-087-3
Molecular Formula: C8H14BrNO2
Molecular Weight: 236.11 g/mol
Melting Point: 171-175 °C
Flash Point: 81.1 °C
Boiling Point: 209 °C at 760 mmHg
Molecule structure of Arecoline hydrobromide (CAS NO.300-08-3):

   
Solubility H2O: 0.1 g/mL, clear, colorless
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 235.020791
MonoIsotopic Mass: 235.020791
Topological Polar Surface Area: 29.5 
Canonical SMILES: CN1CCC=C(C1)C(=O)OC.Br
InChI: InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
InChIKey: AXOJRQLKMVSHHZ-UHFFFAOYSA-N
EINECS: 206-087-3
Product Categories: Heterocyclic Compounds; Pyridine Alkaloids; Alkaloids; Biochemistry;Esters; Pyridines

Arecoline hydrobromide Toxicity Data With Reference

frog LD50 parenteral 160mg/kg (160mg/kg)   Acta Biologica et Medica Germanica. Vol. 28, Pg. 681, 1972.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11778,
mouse LD50 oral 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4921868,
mouse LDLo subcutaneous 65mg/kg (65mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 35, Pg. 75, 1929.
rat LD50 parenteral 270mg/kg (270mg/kg)   Acta Biologica et Medica Germanica. Vol. 28, Pg. 681, 1972.

Arecoline hydrobromide Safety Profile

Hazard Codes: HarmfulXn, ToxicT
Risk Statements: 22-23/24/25 
R22:Harmful if swallowed. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 45-38-36/37/39-28A 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S38:In case of insufficient ventilation, wear suitable respiratory equipment. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
WGK Germany: 3
RTECS: QT2275000
F: 8
HS Code: 29399990
Poison by parenteral, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of HBr and NOx.

Arecoline hydrobromide Specification

 Arecoline hydrobromide (CAS NO.300-08-3) is also named as Arecoline bromide ; Arekolinhydrobromid ; Arekolinhydrobromid [German] ; Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, hydrobromide ; Methyl N-methyl-1,2,5,6-tetrahydronicotinate hydrobromide ; N-Methyltetrahydronicotinic acid methyl ester hydrobromide ; NSC 31750 ; Taeniolin ; UNII-24S79B9CX7 . It is white fine powder. Arecoline hydrobromide (CAS NO.300-08-3) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and hydrogen bromide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Arecoline hydrobromide (CAS NO.300-08-3) separate from raw materials of food.

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