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Basic Information
CAS No.: 14937-45-2
Name: Cetyltributylphosphonium bromide
Molecular Structure:
Molecular Structure of 14937-45-2 (Cetyltributylphosphonium bromide)
Formula: C28H60 P . Br
Molecular Weight: 507.662
Synonyms: Phosphonium,tributylhexadecyl-, bromide (8CI,9CI); Tributylhexadecylphosphonium bromide(7CI); Cetyltributylphosphonium bromide; Hexadecyltributylphosphonium bromide;PX 416B; Tributylcetylphosphonium bromide
EINECS: 239-014-9
Density: g/cm3
Melting Point: 56-58 °C(lit.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: methanol: 0.1 g/mL, clear
Appearance: white to off-white crystal
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 13.59000
LogP: 7.88960
Synthetic route
109-65-9

1-bromo-butane

67047-78-3

hexadecyltributylphosphonium thiocyanate

A

628-83-1

n-butylthiocyanate

B

14937-45-2

cetyltributylphosphonium bromide

Conditions
ConditionsYield
In benzene-d6 at 60℃; for 50h; Equilibrium constant; Substitution;
100-39-0

benzyl bromide

67047-78-3

hexadecyltributylphosphonium thiocyanate

A

3012-37-1

benzyl thiocyanate

B

14937-45-2

cetyltributylphosphonium bromide

Conditions
ConditionsYield
With water In benzene-d6 at 60℃; Kinetics; Equilibrium constant; Substitution;
66-27-3

Methyl methanesulfonate

14937-45-2

cetyltributylphosphonium bromide

86471-19-4

Tributylhexadecylphosphonium-methansulfonat

Conditions
ConditionsYield
In diethyl ether 1) 32 h, r.t., 2) 9 h, heating;100%
1912-31-8

propyl methanesulfonate

14937-45-2

cetyltributylphosphonium bromide

A

106-94-5

propyl bromide

B

86471-19-4

Tributylhexadecylphosphonium-methansulfonat

Conditions
ConditionsYield
In benzene at 80℃;A n/a
B 99%
14937-45-2

cetyltributylphosphonium bromide

C28H60P(1+)*2FH*F(1-)

Conditions
ConditionsYield
With potassium hydrogen bifluoride In dichloromethane for 0.5h; Ambient temperature;98%
19924-43-7

3-methoxyphenylacetonitrile

14937-45-2

cetyltributylphosphonium bromide

106-95-6

allyl bromide

144828-82-0

2-Allyl-2-(3-methoxy-phenyl)-pent-4-enenitrile

Conditions
ConditionsYield
In sodium hydroxide98%
14937-45-2

cetyltributylphosphonium bromide

66997-37-3

hexadecyltributylphosphonium azide

Conditions
ConditionsYield
With sodium azide In diethyl ether94%
With sodium azide; anion exchange resin azide form In methanol Substitution;
14937-45-2

cetyltributylphosphonium bromide

88-73-3

2-Chloronitrobenzene

1493-27-2

ortho-nitrofluorobenzene

Conditions
ConditionsYield
With potassium fluoride91.2%
14937-45-2

cetyltributylphosphonium bromide

1074-82-4

potassium phtalimide

136918-14-4

phthalimide

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide; toluene90%

N-methyl-bis(chloro-ethyl)amine monohydrochloride

1529-41-5

3-chloro-benzeneacetonitrile

14937-45-2

cetyltributylphosphonium bromide

126555-97-3

1-methyl-4-(3-chlorophenyl)-4-piperidinecarbonitrile

Conditions
ConditionsYield
With sodium hydroxide In water88%
With sodium hydroxide In water88%
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  • Cetyltributylphosphonium bromide

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  • Cetyltributylphosphonium bromide cas no. 14937-45-2 98%

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    14937-45-2

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    14937-45-2

    Hexadecyltri-n-butylphosphonium bromide

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Chemistry

Molecular Structure of Cetyltributylphosphonium bromide (CAS NO.14937-45-2):

IUPAC Name: tributyl(hexadecyl)phosphanium bromide 
Empirical Formula: C28H60BrP
Molecular Weight: 507.6538 
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 24
Polar Surface Area: 0 Å2
Melting point: 56-58 °C(lit.)
Solubility methanol: 0.1 g/mL
Sensitive: Hygroscopic
BRN: 4167404
EINECS: 239-014-9
Product Categories: Phosphonium Salts; Aliphatics; Phosphonium Compounds
InChI
InChI=1/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
Smiles
[P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[BrH-]

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
F: 21
Hazard Note: Irritant

Specification

  Cetyltributylphosphonium bromide , with CAS number of 14937-45-2, can be called Phosphonium, tributylhexadecyl-, bromide (1:1) ; Phosphonium, tributylhexadecyl-, bromide ; Tributylhexadecylphosphonium bromide .