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Chemical Product CAS:1643-19-21-Butanaminium,N,N,N-tributyl-, bromide (1:1)

CAS:1643-19-2
1-Butanaminium,N,N,N-tributyl-, bromide (1:1)

  • CAS No:

    1643-19-2
  • Name:

    1-Butanaminium,N,N,N-tributyl-, bromide (1:1)
  • Molecular Formula:

    C16H36BrN
  • Molecular Weight:

    322.38
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1-Butanaminium,N,N,N-tributyl-, bromide (1:1) ( CASNO:1643-19-2 )

Identification and Related Records
Name:
1-Butanaminium,N,N,N-tributyl-, bromide (1:1)
CAS Registry number:
1643-19-2
Synonyms:
Tetrabutyl Ammonium Bromide
Tetrabutylammonium bromide(TBAB)
1-Butanaminium,N,N,N-tributyl-, bromide (9CI)
Ammonium, tetrabutyl-, bromide (8CI)
Tetrabutylammonium bromide (6CI,7CI)
AP 6G
Actiron 43-65
Aliquat 100
Mastermix MB 4988
TBAB
Tetra-n-butylammonium bromide
EINECS(EC#):
216-699-2
Molecular Formula:
C16H36BrN
Molecular Weight:
322.38
Inchi:
InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:
JRMUNVKIHCOMHV-UHFFFAOYSA-M
Canonical SMILES:
CCCC[N+](CCCC)(CCCC)CCCC
Chemical and Physical Properties
Appearance:
White to off white crystalline powder
Density:
1.039 g/mL at 25 °C
Melting Point:
103 - 104 C
Boiling Point:
102?°C
Refractive Index:
n20/D 1.422
Water:
600 G/L (20 oC)
Solubilities:
600 g/l at 20 C
Stability:
Stable. Incompatible with strong oxidizing agents. Protect from moisture.
HS Code:
29239000
Storage temp:
Store at RT.
Computed Properties:
Molecular Weight:242.46374 [g/mol]
Molecular Formula:C16H36N+
XLogP3-AA:5.3
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:12
Exact Mass:242.284775
MonoIsotopic Mass:242.284775
Topological Polar Surface Area:0
Heavy Atom Count:17
Formal Charge:1
Complexity:116
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:4
Effective Rotor Count:12
Conformer Sampling RMSD:1
CID Conformer Count:18
Safety and Handling
Hazard Codes:
Xi: Irritant;Xn: Harmful;
Risk Statements:
R36/37/38
Safety Statements:
26-36-37/39
Hazard Note:
Irritant
Safety:
Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-22
 R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 3
Hazard Note: Irritant
HS Code: 29239000
Sensitive:
Hygroscopic
Transport:
PRI
Specification:
 Tetrabutyl ammonium bromide , its cas register number 1643-19-2. It also can be called Tetrabutylammonium bromide ; and TBAB .
 Tetrabutyl ammonium bromide (CAS NO.1643-19-2) could stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air. It should avoid the condition like incompatible materials, dust generation, excess heat, exposure to moist air or water. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization will not occur.
Use and Manufacturing
Usage:
Commonly used as a phase transfer catalyst.
Biomedical Effects and Toxicity
Pharmacological Action:
- Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
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