Benzyltributylammonium chloride supplier

Name
Benzyltributylammonium chloride
EINECS 245-787-3
CAS No. 23616-79-7
Article Data5
CAS DataBase
Density 0.9523 (rough estimate)
Solubility soluble in water
Melting Point 155-163 °C(lit.)
Formula C₁₉H₃₄N·Cl
Boiling Point 466.93°C (rough estimate)
Molecular Weight 311.939
Flash Point
Transport Information UN 3263 8/PG 2
Appearance white to light yellow crystal powder
Safety 26-45-36/37/39
Risk Codes 22-36/37/38-34
Molecular Structure
Hazard Symbols Xn,Xi,C
Synonyms Ammonium,benzyltributyl-, chloride (8CI);Benzenemethanaminium, N,N,N-tributyl-,chloride (9CI);Benzyltrin-butylammoniumchloride;N,N,N-Tributyl-N-benzylammonium chloride;Tributylbenzylammonium chloride;N-Benzyl-N,N-dibutyl-1-butanaminium chloride;
PSA 0.00000
LogP 2.40770

Benzyltributylammonium chloride Specification

The Benzenemethanaminium,N,N,N-tributyl-, chloride (1:1), with the CAS registry number 23616-79-7, is also known as N,N,N-Tributyl-N-benzylammonium chloride. It belongs to the product categories of Pharmaceutical Intermediates; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. Its EINECS number is 245-787-3. This chemical's molecular formula is C₁₉H₃₄N·Cl and molecular weight is 311.93. What's more, its systematic name is N-Benzyl-N,N-dibutyl-1-butanaminium chloride. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Benzenemethanaminium,N,N,N-tributyl-, chloride (1:1) are: (1)ACD/LogP: -0.991; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.89; (8)ACD/KOC (pH 7.4): 6.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1ccccc1C[N+](CCCC)(CCCC)CCCC
(2)Std. InChI: InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
(3)Std. InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M

Product Name

Benzyltributylammonium chloride

Benzyltributylammonium chloride Specification

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