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