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1-Butylpyridiniumbromide

1-Butylpyridiniumbromide structure

CAS No:
874-80-6
Formula:
C9H14BrN
Chemical Name:
1-Butylpyridiniumbromide
Synonyms:
BUTYLPYRIDINIUM BROMIDE;1-BUTYLPYRIDINIUM BROMIDE;N-BUTYLPYRIDINIUM BROMIDE;N-N-BUTYLPYRIDINIUM BROMIDE;1-N-BUTYLPYRIDINIUM BROMIDE;1-Butylpyridin-1-iuM broMide;1-Butylpyridinium bromide,98%;1-Butylpyridinium bromide ,99%;1-n-Butylpyridiniumbromide,99%;1-ButylpyridiniuM broMide, 98% 5GR
Categories:
Chemical Reagents > Organic Reagents

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Description

White to beige crystalline powder or crystals

1-Butylpyridiniumbromide Basic Attributes

Molecular Weight：

216.12

Exact Mass：

215.030960

EC Number：

1533716-785-6

UNII：

F72FD1BSWG

DSSTox ID：

DTXSID2047933

HScode：

29339900

Characteristics

PSA：

3.9

XLogP3：

-2.69 (LogP)

Appearance：

White to beige Crystalline Powder or Crystals

Melting Point：

104-107°C

Water Solubility：

H2O: almost transparency

Safety Information

Packing level：

Ⅲ

Transport codes：

1759

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

37/39-26

Marks：

Xn,Xi

Precautionary statement(s)：

P280; P305 + P351 + P338

Hazard Statements：

H302; H318

GHS Classification：

|Danger|H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Butylpyridiniumbromide Use and Manufacturing

Comparative Example 3 Production of 1-n-butylpyridinium benzyl-tris(pentafluorophenyl)borate The same procedure as in Example 4 was performed except for using Take N-butylpyridine bromide (21.6g, 0.1mol) in methanol (1000mL), Add an exchange column with Ambersep900 (OH) resin (230mL, 0.2mol), Performing anion exchange, Finally, formic acid (4.6g, 0.1mol) was added for acid-base neutralization, Rotary steaming, vacuum drying, A pale yellow viscous ionic liquid was finally obtained (16.20 g, 89%).General procedure: General procedure. Bi2O3 (75 mg/0.16 mmol in all cases) was dissolved in 2 M HBr (solution A) and then solution containing bromideof corresponding cation in 2 M HBr (solution B) was added, resulting in formation of yellow crystals. Details are summarizedin Table 1.The catalyst 1-butyl-3-methylimidazolium phosphotungstatehybrid material [BmIm]3[PW12O40] was synthesizedas reported in literature [18]. 1-bromobutane was added to1-methyl imidazole in a equimolar ratio of 0.24 mol andstirred at 80 C for 24 h. The yellowish ionic liquid 1-butyl3-methyl imidazolium bromide (BMImBr) was obtainedin the lower phase. The unreacted starting material in theupper phase was removed by washing with ethyl acetate.N-butyl pyridinium bromide (BuPyBr) was prepared in asimilar manner according to reported procedure [37]. Wehave chosen the ionic liquids which contain the cations, BMIm+, TBA+, and BuPy+.Each of these cations is reactedwith H3PW12O40nH2Oin 3:1 mol ratio to obtain one mole ofhybrid material, IL-POM. Typically, BMImBr (0.013 mol)was added drop wise to the solution containing (0.0048 mol)of phosphotungstic acid under constant stirring at room temperature.The white precipitate obtained was washed withdistilled water and dried at 80 C overnight. [TBA]3PW12O40and [BuPy]3PW12O40 were also synthesized in a similarmanner using TBABr and BuPyBr. The scheme of preparationof IL-POM hybrid catalysts is given Scheme 1.

Computed Properties

Molecular Weight:216.12
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:215.03096
Monoisotopic Mass:215.03096
Topological Polar Surface Area:3.9
Heavy Atom Count:11
Complexity:74.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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