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541-22-0

Basic Information
CAS No.: 541-22-0
Name: DECAMETHONIUM BROMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 541-22-0 (DECAMETHONIUM BROMIDE)
Formula: C16H38 N2 . 2 Br
Molecular Weight: 418.299
Synonyms: 1,10-Decanediaminium,N,N,N,N',N',N'-hexamethyl-, dibromide (9CI);Ammonium, decamethylenebis[trimethyl-bromide] (6CI);Ammonium, decamethylenebis[trimethyl-, dibromide (8CI);C 10;C10 (onium compound);Decacuran;Decamethonium bromide;Decamethonium dibromide;Decamethylene-1,10-bistrimethylammonium dibromide;Decamethylenebis[trimethylammoniumbromide];Syncurine;
EINECS: 208-772-2
Density: g/cm3
Melting Point: 263-267 °C(lit.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: Toxicity data
(The"> substantial

Stability

    Stable. Incompatible with strong oxidizing agents.

Toxicology

    Toxic if swallowed, inhaled or absorbed through the skin.

    Toxicity data
    (The

Appearance: crystalline solid
Hazard Symbols: R25:Toxic if swallowed.;
Risk Codes: R25;
Safety: Deadly poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br. See also BROMIDES.
PSA: 0.00000
LogP: -2.47240
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Chemistry

Molecule structure of Decamethylene bis(trimethylammonium bromide) (CAS NO.541-22-0):

IUPAC Name: Trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide 
Molecular Weight: 418.29432 g/mol
Molecular Formula: C16H38Br2N2 
Melting Point: 263-267 °C(lit.)
Form: crystalline
Color: off-white
H-Bond Acceptor: 2
Rotatable Bond Count: 11
Exact Mass: 418.138128
MonoIsotopic Mass: 416.140174
Heavy Atom Count: 20
Complexity: 164
Canonical SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI: InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKey: HLXQFVXURMXRPU-UHFFFAOYSA-L
EINECS: 208-772-2
Product Categories: Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds

Toxicity Data With Reference

1.    

ipr-rat LD50:2900 µg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 14 (1969),67.
2.    

orl-mus LD50:190 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 118 (1956),395.
3.    

ipr-mus LD50:900 µg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),792.
4.    

scu-mus LD50:4 mg/kg

    YKKZAJ    Yakugaku Zasshi. Journal of Pharmacy. 74 (1954),911.
5.    

ivn-mus LD50:630 µg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 105 (1956),221.
6.    

ivn-cat LD50:35 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 118 (1956),395.
7.    

ivn-rbt LD50:125 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 118 (1956),395.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: ToxicT
Risk Statements: 25-36/37/38 
R25 :Toxic if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: BP5950000
F: 3-10
HazardClass: 6.1(b)
PackingGroup: III
Deadly poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br. See also BROMIDES.

Specification

 Decamethylene bis(trimethylammonium bromide) (CAS NO.541-22-0) is also named as 1,10-Decanediaminium, N,N,N,N',N',N'-hexamethyl-, monobromide ; Bromure de decamethonium ; Bromuro de decametonio ; Bromuro de decametonio [INN-Spanish] ; C 10 (VAN) ; Decacuran ; Decamethonii bromidum ; Decamethonium bromide ; Decamethonium dibromide ; Decamethylene bis(trimethylammonium) dibromide ; Decamethylene-1,10-bistrimethylammonium dibromide ; Decamethylenebis(trimethylammonium bromide) ; Decametonio bromuro ; Decametonio bromuro [DCIT] ; Dekamethoniumbromid ; Dekamethoniumbromid [Czech] ; HL 8562 ; NSC 23004 ; Syncurine ; UNII-5C6RK944K . Decamethylene bis(trimethylammonium bromide) (CAS NO.541-22-0) is crystalline solid. It is water soluble It is stable and incompatible with strong oxidizing agents. Crystals derived from methanol and acetone. When heated to decomposition Decamethylene bis(trimethylammonium bromide) emits very toxic fumes. Flash point data for Decamethylene bis(trimethylammonium bromide) are not available. Decamethylene bis(trimethylammonium bromide) is probably combustible.