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Alkyl dimethyl benzyl ammonium chloride

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Name

Alkyl dimethyl benzyl ammonium chloride

EINECS 264-151-6
CAS No. 63449-41-2 Density 0.989 g/cm3
PSA 0.00000 LogP 3.57800
Solubility Miscible with water, methanol and acetone. Melting Point -5oC
Formula C17H30ClN Boiling Point 100oC
Molecular Weight 354.01300 Flash Point >100oC
Transport Information UN 2923 Appearance liquid or powder
Safety 36/37/39-45-61 Risk Codes 21/22-34-50
Molecular Structure Molecular Structure of 63449-41-2 (Benzalkonium chloride) Hazard Symbols CorrosiveC,DangerousN
Synonyms

Alkylbenzyldimethylammoniumchlorides, benzyl-C8-18-alkyldimethyl;Arquad B;Arquad B 100;Arquad B 50;Benzyl-C8-18-alkyldimethylammonium chlorides;Cation F2 50;Nissan Cation F250;Roccal;Tret-O-Lite XC 511;

 

Alkyl dimethyl benzyl ammonium chloride Specification

The Quaternary ammoniumcompounds, benzyl-C8-18-alkyldimethyl, chlorides, with the CAS registry number 63449-41-2, is also known as Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl. Its EINECS registry number is 264-151-6. This chemical's classification code is TSCA UVCB.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may present an immediate or delayed danger to one or more components of the environment. It is harmful by inhalation and in contact with skin. This chemical can cause burns. It is very toxic to aquatic organisms. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
(2)Smiles: c1ccccc1C[N+](CCCCCCCCCCCCCCCCCC)(C)C.[Cl-]

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949.
mouse LD50 oral 150mg/kg (150mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE
Pharmaceutical Chemistry Journal Vol. 12, Pg. 1593, 1978.
rat LD50 skin 1420mg/kg (1420mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE
Pharmaceutical Chemistry Journal Vol. 12, Pg. 1593, 1978.
 

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