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71-91-0 molecular structure
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tetraethylazanium bromide

ChemBase ID: 89184
Molecular Formular: C8H20BrN
Molecular Mass: 210.1551
Monoisotopic Mass: 209.07791165
SMILES and InChIs

SMILES:
[N+](CC)(CC)(CC)CC.[Br-]
Canonical SMILES:
CC[N+](CC)(CC)CC.[Br-]
InChI:
InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey:
HWCKGOZZJDHMNC-UHFFFAOYSA-M

Cite this record

CBID:89184 http://www.chembase.cn/molecule-89184.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetraethylazanium bromide
IUPAC Traditional name
tetraethylammonium bromide
Synonyms
Tetraethylammonium bromide
Tetraethylammonium bromide solution
Tetraethylammonium bromide
Tetrylammonium bromide
TEe
TEABr
TEA bromide
四乙基溴化铵 溶液
四乙溴铵
四乙基溴化铵
CAS Number
71-91-0
EC Number
200-769-4
MDL Number
MFCD00011825
Beilstein Number
3563430
Merck Index
149199
PubChem SID
24854459
162076067
24888701
24888703
24848444
PubChem CID
6285
CHEMBL
324254
Chemspider ID
6048
Wikipedia Title
Tetraethylammonium_bromide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5449352  LogD (pH = 7.4) -2.5449352 
Log P -2.5449352  Molar Refractivity 54.8961 cm3
Polarizability 16.958946 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetonitrile: soluble0.1 g/mL, clear, colorless (warm) expand Show data source
Soluble in water expand Show data source
Apperance
White solid expand Show data source
Melting Point
285 °C (dec.)(lit.) expand Show data source
285°C (decomposes) expand Show data source
285-287°C expand Show data source
286 °C (dec) expand Show data source
ca 285°C dec. expand Show data source
Density
1.397 expand Show data source
1.4 expand Show data source
1.4 g/cm3 expand Show data source
Absorption Wavelength
λ: 240 nm Amax: 0.04 expand Show data source
λ: 250 nm Amax: 0.03 expand Show data source
λ: 260 nm Amax: 0.02 expand Show data source
λ: 500 nm Amax: 0.02 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant/Hygroscopic/Moisture Sensitive/Store under Argon expand Show data source
RTECS
BS5950000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
R36 R37 R38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
S26 S36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥98.0% expand Show data source
≥98.0% (AT) expand Show data source
≥99.0% expand Show data source
≥99.0% (AT) expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
~50% in H2O expand Show data source
Grade
for electrochemical analysis expand Show data source
for ion pair chromatography expand Show data source
puriss. expand Show data source
purum expand Show data source
reagent grade expand Show data source
ReagentPlus® expand Show data source
SAJ special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
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Suitability
corresponds to standard for filter test expand Show data source
Impurities
≤2% triethylamine hydrobromide expand Show data source
1% triethylamine hydrobromide expand Show data source
λ
10 % in H2O expand Show data source
Linear Formula
(C2H5)4N(Br) expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05218996 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02152110 external link
Crystalline
Purity: 99+%
Phase transfer catalyst
MP Biomedicals - 02152111 external link
Crystalline
Purity: 98%
Phase transfer catalyst
Sigma Aldrich - 241059 external link
Packaging
50, 250 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 140023 external link
Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 86606 external link
General description
Visit our Sensor Applications portal to learn more.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Phase-transfer catalyst; see Appendix 2.
  • • For use in combination with anhydrous HBr as a reagent for selective monohydrobromination of an alkyne, see: Org. Synth., 76, 263 (1998).
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PATENTS

PATENTS

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INTERNET

INTERNET

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