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| CAS No.: | 14937-45-2 |
|---|---|
| Name: | Cetyltributylphosphonium bromide |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 13.59000 |
| LogP: | 7.88960 |
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- 109-65-9
1-bromo-butane
- 67047-78-3
hexadecyltributylphosphonium thiocyanate
A
- 628-83-1
n-butylthiocyanate
B
- 14937-45-2
cetyltributylphosphonium bromide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In benzene at 80℃; | A n/a B 99% |
- 14937-45-2
cetyltributylphosphonium bromide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In sodium hydroxide | 98% |
- 14937-45-2
cetyltributylphosphonium bromide
- 66997-37-3
hexadecyltributylphosphonium azide
| Conditions | Yield |
|---|---|
| With sodium azide In diethyl ether | 94% |
| 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 | Yield |
|---|---|
| With potassium fluoride | 91.2% |
| Conditions | Yield |
|---|---|
| In water; N,N-dimethyl-formamide; toluene | 90% |
- 1529-41-5
3-chloro-benzeneacetonitrile
- 14937-45-2
cetyltributylphosphonium bromide
- 126555-97-3
1-methyl-4-(3-chlorophenyl)-4-piperidinecarbonitrile
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water | 88% |
| With sodium hydroxide In water | 88% |
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Chemistry
Molecular Structure of Cetyltributylphosphonium bromide (CAS NO.14937-45-2):
.gif)
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: 
Xi
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 .