Trihexylphosphine supplier | CasNO.4168-73-4

Name
Trihexylphosphine
EINECS 224-025-3
CAS No. 4168-73-4
Article Data8
CAS DataBase
Density 0,83 g/cm³
Solubility
Melting Point 20℃
Formula C₁₈H₃₉P
Boiling Point 358.3 °C at 760 mmHg
Molecular Weight 286.481
Flash Point 179.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Tri-n-hexylphosphine;Trihexylphosphine;
PSA 13.59000
LogP 7.20920

Synthetic route

: 44767-62-6
n-hexylmagnesium chloride

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With trichlorophosphate at -5℃; for 4h; Temperature;	92.6%

: 638-45-9
1-Iodohexane

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With phosphorous; Ni(0)bipy In N,N-dimethyl-formamide Electrochemical reaction; Zn anode;	75%

: 3761-92-0
n-hexylmagnesium bromide

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With diethyl ether; phosphorus trichloride

: 3084-48-8
tris(n-hexyl)phosphine oxide

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With trichlorosilane; triethylamine

: 1002-69-3
decyl chloride

: 4168-73-4
trihexylphosphine

: 850134-86-0
decyl-trihexyl-phosphonium; chloride

Conditions

Conditions	Yield
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h;	99%

: 2162-98-3
1,10-dichlorodecane

: 4168-73-4
trihexylphosphine

: 1,10-di(trihexylphosphonium chloride)decane

Conditions

Conditions	Yield
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 18991-99-6
heptyl 2-bromoacetate

: 1227200-47-6
tri-n-hexyl(heptoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 52034-03-4
pentyl 2-bromoacetate

: 1227200-46-5
tri-n-hexyl(pentoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 107-30-2
chloromethyl methyl ether

: 1227200-50-1
tri-n-hexyl(methoxymethyl)phosphonium chloride

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	99%

: 35223-80-4
n-propyl bromoacetate

: 4168-73-4
trihexylphosphine

: 1227200-45-4
tri-n-hexyl(propoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	98%

: 40596-44-9
4-iodobutyl acetate

: 4168-73-4
trihexylphosphine

: 1227200-48-7
tri-n-hexyl(acetoxybutyl)phosphonium iodide

Conditions

Conditions	Yield
at 50℃; for 4h; Inert atmosphere;	98%

: 4168-73-4
trihexylphosphine

: 540-51-2
2-bromoethanol

: 1227200-51-2
tri-n-hexyl(2-hydroxyethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	98%

: 4168-73-4
trihexylphosphine

: 106-95-6
allyl bromide

: tri-n-hexylallylphosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	96%
In diethyl ether Ambient temperature;

: 16355-92-3
1,10-diiododecane

: 4168-73-4
trihexylphosphine

: 1,10-di(trihexylphosphonium iodide)decane

Conditions

Conditions	Yield
for 3h; Inert atmosphere; Glovebox; Microwave irradiation; Heating;	96%

: 1120-71-4
1,3-propanesultone

: 4168-73-4
trihexylphosphine

: C21H45O3PS

Conditions

Conditions	Yield
In toluene at 90℃; for 72h; Inert atmosphere;	95%

: 4168-73-4
trihexylphosphine

: 616-38-6
carbonic acid dimethyl ester

: 1258887-13-6
tri-n-hexyl(methyl)phosphonium methyl carbonate

Conditions

Conditions	Yield
In methanol at 140℃; for 24h; Inert atmosphere; Autoclave;	94%

: 931-53-3
Cyclohexyl isocyanide

: 4168-73-4
trihexylphosphine

: cobalt(II) perchlorate hexahydrate

: tetrakis(cyclohexylisocyanide)bis(tri-n-hexylphosphine)cobalt(III) perchlorate

: 138978-07-1
tris(cyclohexylisocyanide)bis(tri-n-hexylphosphine)cobalt(I) perchlorate

Conditions

Conditions	Yield
In ethanol dropwise add. of C6H11NC (stirring), dropwise addn. of P(C6H13-n)3 (stirring), standing (room temp., 10 min); pptn. on dropwise addn. of ether and chilling (60 min), sepn. of Co(III)-complex: washing (ether), extn. (MeCN), pptn. on ether addn. (chilling); sepn. of Co(I)-complex: addn. of ether to filtrate and chilling (overnight), sepn., washing; elem. anal.;	A 93% B 69%

...Expand

: 2425-54-9
myristyl chloride

: 4168-73-4
trihexylphosphine

: 258864-54-9
trihexyl(tetradecyl)phosphonium chloride

Conditions

Conditions	Yield
at 145℃; for 24h;	90%
at 145℃; Inert atmosphere;	90%
at 80℃; for 48h; Inert atmosphere;

: 2067-33-6
5-bromopentanoic acid

: 4168-73-4
trihexylphosphine

: C23H48O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	90%

: 4168-73-4
trihexylphosphine

: 1592-20-7
4-Vinylbenzyl chloride

: 226710-73-2
tri(hexyl)-4-vinylbenzyl phosphonium chloride

Conditions

Conditions	Yield
In acetonitrile at 60℃; Inert atmosphere;	88%

: 629-03-8
1 ,6-dibromohexane

: 4168-73-4
trihexylphosphine

: trihexyl(6-bromohexyl)phosphonium bromide

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Reflux;	88%

: 16940-66-2
sodium tetrahydroborate

: 4168-73-4
trihexylphosphine

: tri-n-hexylphosphine-borane

Conditions

Conditions	Yield
With iodine In tetrahydrofuran byproducts: NaI; (C6H13)3P was dissolved in THF, stirred under N2, NaBH4 was added to soln., I2 dissolved in THF was added dropwise to the mixt., refluxed for 2h, the mixt. was cooled, filtered to remove NaI; product was washed with H2O and extd. with ether; elem. anal.;	87%

: 629-03-8
1 ,6-dibromohexane

: 4168-73-4
trihexylphosphine

: 1,6-di(trihexylphosphonium bromide)hexane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	87%

: 4168-73-4
trihexylphosphine

: 4101-68-2
1,10-dibromodecane

: 1,10-di(trihexylphosphonium bromide)decane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	85%

: 590-92-1
3-Bromopropionic acid

: 4168-73-4
trihexylphosphine

: C21H44O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	80%

: 30515-28-7
7-bromoheptanoic acid

: 4168-73-4
trihexylphosphine

: C25H52O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	70%

: 4168-73-4
trihexylphosphine

: 586-76-5
4-Bromobenzoic acid

: C25H44O2P(1+)*Br(1-)

Conditions

Conditions	Yield
With nickel dibromide at 170℃; for 13.5h; Inert atmosphere;	70%

: 4168-73-4
trihexylphosphine

: 4101-68-2
1,10-dibromodecane

: trihexyl(10-bromodecyl)phosphonium bromide

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Reflux;	70%

: 4168-73-4
trihexylphosphine

: 6460-28-2
hexyl-phosphonous dichloride

Conditions

Conditions	Yield
With phosphorus trichloride at 275℃; for 1h;	64%

: 4168-73-4
trihexylphosphine

: trihexyl(10-bromodecyl)ammonium bromide

: 1-((trihexylammonium) bromide)-10-((trihexylphosphonium) bromide)decane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	57%

: 4168-73-4
trihexylphosphine

: 79-10-7
acrylic acid

: 1128277-50-8
1-carboxyethyl-tri-hexylphosphonium betaine

Conditions

Conditions	Yield
In chloroform at 20℃; for 24h; Inert atmosphere;	56%

: 44767-62-6
n-hexylmagnesium chloride

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With trichlorophosphate at -5℃; for 4h; Temperature;	92.6%

: 638-45-9
1-Iodohexane

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With phosphorous; Ni(0)bipy In N,N-dimethyl-formamide Electrochemical reaction; Zn anode;	75%

: 3761-92-0
n-hexylmagnesium bromide

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With diethyl ether; phosphorus trichloride

: 3084-48-8
tris(n-hexyl)phosphine oxide

: 4168-73-4
trihexylphosphine

Conditions

Conditions	Yield
With trichlorosilane; triethylamine

: 1002-69-3
decyl chloride

: 4168-73-4
trihexylphosphine

: 850134-86-0
decyl-trihexyl-phosphonium; chloride

Conditions

Conditions	Yield
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h;	99%

: 2162-98-3
1,10-dichlorodecane

: 4168-73-4
trihexylphosphine

: 1,10-di(trihexylphosphonium chloride)decane

Conditions

Conditions	Yield
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%
at 140℃; for 24h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 18991-99-6
heptyl 2-bromoacetate

: 1227200-47-6
tri-n-hexyl(heptoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 52034-03-4
pentyl 2-bromoacetate

: 1227200-46-5
tri-n-hexyl(pentoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	99%

: 4168-73-4
trihexylphosphine

: 107-30-2
chloromethyl methyl ether

: 1227200-50-1
tri-n-hexyl(methoxymethyl)phosphonium chloride

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	99%

: 35223-80-4
n-propyl bromoacetate

: 4168-73-4
trihexylphosphine

: 1227200-45-4
tri-n-hexyl(propoxycarbonylmethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 2h; Inert atmosphere;	98%

: 40596-44-9
4-iodobutyl acetate

: 4168-73-4
trihexylphosphine

: 1227200-48-7
tri-n-hexyl(acetoxybutyl)phosphonium iodide

Conditions

Conditions	Yield
at 50℃; for 4h; Inert atmosphere;	98%

: 4168-73-4
trihexylphosphine

: 540-51-2
2-bromoethanol

: 1227200-51-2
tri-n-hexyl(2-hydroxyethyl)phosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	98%

: 4168-73-4
trihexylphosphine

: 106-95-6
allyl bromide

: tri-n-hexylallylphosphonium bromide

Conditions

Conditions	Yield
at 50℃; for 5h; Inert atmosphere;	96%
In diethyl ether Ambient temperature;

: 16355-92-3
1,10-diiododecane

: 4168-73-4
trihexylphosphine

: 1,10-di(trihexylphosphonium iodide)decane

Conditions

Conditions	Yield
for 3h; Inert atmosphere; Glovebox; Microwave irradiation; Heating;	96%

: 1120-71-4
1,3-propanesultone

: 4168-73-4
trihexylphosphine

: C21H45O3PS

Conditions

Conditions	Yield
In toluene at 90℃; for 72h; Inert atmosphere;	95%

: 4168-73-4
trihexylphosphine

: 616-38-6
carbonic acid dimethyl ester

: 1258887-13-6
tri-n-hexyl(methyl)phosphonium methyl carbonate

Conditions

Conditions	Yield
In methanol at 140℃; for 24h; Inert atmosphere; Autoclave;	94%

: 931-53-3
Cyclohexyl isocyanide

: 4168-73-4
trihexylphosphine

: cobalt(II) perchlorate hexahydrate

: tetrakis(cyclohexylisocyanide)bis(tri-n-hexylphosphine)cobalt(III) perchlorate

: 138978-07-1
tris(cyclohexylisocyanide)bis(tri-n-hexylphosphine)cobalt(I) perchlorate

Conditions

Conditions	Yield
In ethanol dropwise add. of C6H11NC (stirring), dropwise addn. of P(C6H13-n)3 (stirring), standing (room temp., 10 min); pptn. on dropwise addn. of ether and chilling (60 min), sepn. of Co(III)-complex: washing (ether), extn. (MeCN), pptn. on ether addn. (chilling); sepn. of Co(I)-complex: addn. of ether to filtrate and chilling (overnight), sepn., washing; elem. anal.;	A 93% B 69%

...Expand

: 2425-54-9
myristyl chloride

: 4168-73-4
trihexylphosphine

: 258864-54-9
trihexyl(tetradecyl)phosphonium chloride

Conditions

Conditions	Yield
at 145℃; for 24h;	90%
at 145℃; Inert atmosphere;	90%
at 80℃; for 48h; Inert atmosphere;

: 2067-33-6
5-bromopentanoic acid

: 4168-73-4
trihexylphosphine

: C23H48O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	90%

: 4168-73-4
trihexylphosphine

: 1592-20-7
4-Vinylbenzyl chloride

: 226710-73-2
tri(hexyl)-4-vinylbenzyl phosphonium chloride

Conditions

Conditions	Yield
In acetonitrile at 60℃; Inert atmosphere;	88%

: 629-03-8
1 ,6-dibromohexane

: 4168-73-4
trihexylphosphine

: trihexyl(6-bromohexyl)phosphonium bromide

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Reflux;	88%

: 16940-66-2
sodium tetrahydroborate

: 4168-73-4
trihexylphosphine

: tri-n-hexylphosphine-borane

Conditions

Conditions	Yield
With iodine In tetrahydrofuran byproducts: NaI; (C6H13)3P was dissolved in THF, stirred under N2, NaBH4 was added to soln., I2 dissolved in THF was added dropwise to the mixt., refluxed for 2h, the mixt. was cooled, filtered to remove NaI; product was washed with H2O and extd. with ether; elem. anal.;	87%

: 629-03-8
1 ,6-dibromohexane

: 4168-73-4
trihexylphosphine

: 1,6-di(trihexylphosphonium bromide)hexane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	87%

: 4168-73-4
trihexylphosphine

: 4101-68-2
1,10-dibromodecane

: 1,10-di(trihexylphosphonium bromide)decane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	85%

: 590-92-1
3-Bromopropionic acid

: 4168-73-4
trihexylphosphine

: C21H44O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	80%

: 30515-28-7
7-bromoheptanoic acid

: 4168-73-4
trihexylphosphine

: C25H52O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	70%

: 4168-73-4
trihexylphosphine

: 586-76-5
4-Bromobenzoic acid

: C25H44O2P(1+)*Br(1-)

Conditions

Conditions	Yield
With nickel dibromide at 170℃; for 13.5h; Inert atmosphere;	70%

: 4168-73-4
trihexylphosphine

: 4101-68-2
1,10-dibromodecane

: trihexyl(10-bromodecyl)phosphonium bromide

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Reflux;	70%

Trihexylphosphine Specification

The Trihexylphosphine, with the CAS registry number 4168-73-4, is also known as tri-n-Hexylphosphine. It belongs to the product categories of Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry. Its EINECS registry number is 224-025-3. This chemical's molecular formula is C₁₈H₃₉P and molecular weight is 286.48. Its systematic name is called trihexylphosphane.

Physical properties of Trihexylphosphine: (1)ACD/LogP: 8.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.79; (4)ACD/LogD (pH 7.4): 8.79; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1437727.88; (8)ACD/KOC (pH 7.4): 1437727.88; (9)#Freely Rotating Bonds: 15; (10)Flash Point: 179.1 °C; (11)Enthalpy of Vaporization: 57.99 kJ/mol; (12)Boiling Point: 358.3 °C at 760 mmHg; (13)Vapour Pressure: 5.32E-05 mmHg at 25°C.

Uses of Trihexylphosphine: it can be used to produce dichloro-hexyl-phosphine at temperature of 275 °C. This reaction will need reagent PCl₃ with reaction time of 1 hour. The yield is about 64%.

Trihexylphosphine can be used to produce dichloro-hexyl-phosphine

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: P(CCCCCC)(CCCCCC)CCCCCC
(2)InChI: InChI=1/C18H39P/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
(3)InChIKey: FPZZZGJWXOHLDJ-UHFFFAOYAW

Product Name

Trihexylphosphine

Synthetic route

Trihexylphosphine Specification

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