Basic Information | Post buying leads | Suppliers |
Name |
Cetyltributylphosphonium bromide |
EINECS | 239-014-9 |
CAS No. | 14937-45-2 | Density | g/cm3 |
PSA | 13.59000 | LogP | 7.88960 |
Solubility | methanol: 0.1 g/mL, clear | Melting Point |
56-58 °C(lit.) |
Formula | C28H60 P . Br | Boiling Point | °Cat760mmHg |
Molecular Weight | 507.662 | Flash Point | °C |
Transport Information | N/A | Appearance | white to off-white crystal |
Safety | 26-36/37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Phosphonium,tributylhexadecyl-, bromide (8CI,9CI); Tributylhexadecylphosphonium bromide(7CI); Cetyltributylphosphonium bromide; Hexadecyltributylphosphonium bromide;PX 416B; Tributylcetylphosphonium bromide |
1-bromo-butane
hexadecyltributylphosphonium thiocyanate
A
n-butylthiocyanate
B
cetyltributylphosphonium bromide
Conditions | Yield |
---|---|
In benzene-d6 at 60℃; for 50h; Equilibrium constant; Substitution; |
benzyl bromide
hexadecyltributylphosphonium thiocyanate
A
benzyl thiocyanate
B
cetyltributylphosphonium bromide
Conditions | Yield |
---|---|
With water In benzene-d6 at 60℃; Kinetics; Equilibrium constant; Substitution; |
Methyl methanesulfonate
cetyltributylphosphonium bromide
Tributylhexadecylphosphonium-methansulfonat
Conditions | Yield |
---|---|
In diethyl ether 1) 32 h, r.t., 2) 9 h, heating; | 100% |
propyl methanesulfonate
cetyltributylphosphonium bromide
A
propyl bromide
B
Tributylhexadecylphosphonium-methansulfonat
Conditions | Yield |
---|---|
In benzene at 80℃; | A n/a B 99% |
cetyltributylphosphonium bromide
Conditions | Yield |
---|---|
With potassium hydrogen bifluoride In dichloromethane for 0.5h; Ambient temperature; | 98% |
3-methoxyphenylacetonitrile
cetyltributylphosphonium bromide
allyl bromide
2-Allyl-2-(3-methoxy-phenyl)-pent-4-enenitrile
Conditions | Yield |
---|---|
In sodium hydroxide | 98% |
cetyltributylphosphonium bromide
hexadecyltributylphosphonium azide
Conditions | Yield |
---|---|
With sodium azide In diethyl ether | 94% |
With sodium azide; anion exchange resin azide form In methanol Substitution; |
cetyltributylphosphonium bromide
2-Chloronitrobenzene
ortho-nitrofluorobenzene
Conditions | Yield |
---|---|
With potassium fluoride | 91.2% |
Conditions | Yield |
---|---|
In water; N,N-dimethyl-formamide; toluene | 90% |
3-chloro-benzeneacetonitrile
cetyltributylphosphonium bromide
1-methyl-4-(3-chlorophenyl)-4-piperidinecarbonitrile
Conditions | Yield |
---|---|
With sodium hydroxide In water | 88% |
With sodium hydroxide In water | 88% |
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-]
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
Cetyltributylphosphonium bromide , with CAS number of 14937-45-2, can be called Phosphonium, tributylhexadecyl-, bromide (1:1) ; Phosphonium, tributylhexadecyl-, bromide ; Tributylhexadecylphosphonium bromide .