1-Chlorohexadecane supplier

Name
1-Chlorohexadecane
EINECS 225-461-7
CAS No. 4860-03-1
Article Data33
CAS DataBase
Density 0.858 g/cm³
Solubility 0.02 g/L (20 °C, Dec.) in water
Melting Point 8-14 °C(lit.)
Formula C₁₆H₃₃Cl
Boiling Point 321.8 °C at 760 mmHg
Molecular Weight 260.891
Flash Point 138.1 °C
Transport Information UN 3082 9/PG 3
Appearance Liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Hexadecyl chloride;Cetyl chloride;Hexadecyl chloride;NSC 43727;NSC 57106;Palmityl chloride;n-Hexadecyl chloride;
PSA 0.00000
LogP 6.70650

Synthetic route

: 66143-55-3
2-dimethylamino-ethanesulfonic acid hexadecyl ester; hydrochloride

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
In benzene at 81℃; for 0.5h;	100%
In benzene

: 36653-82-4
1-Hexadecanol

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With tetrachloromethane; cross-linked polymer (containing 2.50 mmol of phosphine/g) for 2h; Heating;	98%
With hydrogenchloride; hexadecylpyridinium bromide for 16h; Heating;	92%
With hydrogenchloride; zinc(II) chloride

: 24471-13-4
1-chloro-7-hexadecyne

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With sodium tetrahydroborate; hydrogen; nickel diacetate; zinc(II) oxide In ethanol at 35 - 55℃; for 40.5h;	97.7%

: 66143-63-3
(3-hexadecyloxysulfonyl-propyl)-trimethyl-ammonium; chloride

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
In toluene at 110℃; for 2h;	95%

: 3312-77-4
dihexadecyl sulfide

: 4661-46-5
2-carboxybenzene diazonium chloride

A: 4860-03-1
1-Chlorohexadecan

B: 139-66-2
diphenyl sulfide

C: 37616-35-6
hexadecyl-phenyl sulfide

Conditions

Conditions	Yield
With methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 86% B 93.5% C 6%

...Expand

: 3312-77-4
dihexadecyl sulfide

A: 4860-03-1
1-Chlorohexadecan

B: 139-66-2
diphenyl sulfide

C: 37616-35-6
hexadecyl-phenyl sulfide

Conditions

Conditions	Yield
With 2-carboxybenzene diazonium chloride; methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 86% B 93.5% C 6%

...Expand

: 37616-35-6
hexadecyl-phenyl sulfide

: 4661-46-5
2-carboxybenzene diazonium chloride

A: 4860-03-1
1-Chlorohexadecan

B: 139-66-2
diphenyl sulfide

Conditions

Conditions	Yield
In 1,2-dichloro-ethane for 0.75h; Heating;	A 87.5% B 93.5%

...Expand

: 37616-35-6
hexadecyl-phenyl sulfide

A: 4860-03-1
1-Chlorohexadecan

B: 139-66-2
diphenyl sulfide

Conditions

Conditions	Yield
With 2-carboxybenzene diazonium chloride In 1,2-dichloro-ethane for 0.75h; Heating;	A 87.5% B 93.5%

: 4661-46-5
2-carboxybenzene diazonium chloride

A: 4860-03-1
1-Chlorohexadecan

B: 139-66-2
diphenyl sulfide

C: 37616-35-6
hexadecyl-phenyl sulfide

Conditions

Conditions	Yield
With dihexadecyl sulfide; methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 86% B 93.5% C 6%

...Expand

: 26272-90-2
cetyl chloroformate

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With hexabutylguanidinium chloride at 120℃; for 4h;	92%

: 146404-40-2
1-tosyl-1-hexadecylhydrazine

A: 4860-03-1
1-Chlorohexadecan

B: 98-59-9
p-toluenesulfonyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide In tetrahydrofuran for 16h; Ambient temperature; Irradiation;	A 88% B n/a
With N-chloro-succinimide In tetrahydrofuran for 16h; Product distribution; Mechanism; Ambient temperature; Irradiation; reactions of N-substituted-N-tosylhydrazines with NCS and NBS;	A 88% B n/a

: hexadecyl <2>betylate fluorosulfate

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With sodium chloride In dichloromethane; water at 50℃; for 18h;	80%

: 36653-82-4
1-Hexadecanol

: 3282-30-2
pivaloyl chloride

A: 4860-03-1
1-Chlorohexadecan

B: 32767-89-8
hexadecyl pivalate

Conditions

Conditions	Yield
With N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h;	A 75% B n/a

...Expand

: 100330-20-9
benzyl(hexadecyl)sulfane

: 4661-46-5
2-carboxybenzene diazonium chloride

A: 4860-03-1
1-Chlorohexadecan

B: 831-91-4
Benzyl phenyl sulfide

C: 37616-35-6
hexadecyl-phenyl sulfide

D: 100-44-7
benzyl chloride

Conditions

Conditions	Yield
With methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 11% B 8% C 74% D 65%

...Expand

: 100330-20-9
benzyl(hexadecyl)sulfane

A: 4860-03-1
1-Chlorohexadecan

B: 831-91-4
Benzyl phenyl sulfide

C: 37616-35-6
hexadecyl-phenyl sulfide

D: 100-44-7
benzyl chloride

Conditions

Conditions	Yield
With 2-carboxybenzene diazonium chloride; methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 11% B 8% C 74% D 65%

...Expand

: 100330-20-9
benzyl(hexadecyl)sulfane

A: 4860-03-1
1-Chlorohexadecan

B: 831-91-4
Benzyl phenyl sulfide

C: 100339-90-0
3,3,6-Trimethyl-4-phenylmercapto-heptadien-(1,5)

D: 100-44-7
benzyl chloride

Conditions

Conditions	Yield
With 2-carboxybenzene diazonium chloride; methyloxirane In 1,2-dichloro-ethane for 0.75h; Heating;	A 11% B 8% C 74% D 65%

...Expand

: 74-85-1
ethene

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With hydrogenchloride; dibenzoyl peroxide at 100℃; under 294203 - 367754 Torr;
With hydrogenchloride; dibenzoyl peroxide at 100℃; under 294203 - 367754 Torr;

: 58587-19-2
1-(2-tetrahydropyranyloxy)hexadecane

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With sulfuryl dichloride In dichloromethane

: 109-67-1
1-penten

: 872-17-3
11-chloroundec-1-ene

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With potassium hydroxide; borane-THF 1) THF, 2) THF, Pt-anode, 30 mA/cm-2, 110 mF, 0 deg C; Yield given. Multistep reaction;

: 83485-98-7
C22H38Cl2Te

A: 4860-03-1
1-Chlorohexadecan

B: 32294-60-3
diphenyl ditelluride

Conditions

Conditions	Yield
With sodium chloride In N,N-dimethyl-formamide at 100℃; for 1h; Yield given;

: 4-dimethylamino-butane-1-sulfonic acid hexadecyl ester; hydrochloride

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
In toluene at 110℃; for 8h;	90 % Spectr.

: 79-11-8
chloroacetic acid

: 57-10-3
1-hexadecylcarboxylic acid

alkali: alkali

A: 4860-03-1
1-Chlorohexadecan

B: 638-68-6
n-triacontane

Conditions

Conditions	Yield
an Platinelektroden; bei einer Stromdichte von ca.0.8 Amp/cm2.Electrolysis;

...Expand

: 7719-09-7
thionyl chloride

: 36653-82-4
1-Hexadecanol

: 4860-03-1
1-Chlorohexadecan

: 7647-01-0
hydrogenchloride

: 36653-82-4
1-Hexadecanol

: 7664-93-9
sulfuric acid

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
at 160℃; in Gegenwart von verschiedenen Metallchloriden und -sulfaten;

...Expand

: 7647-01-0
hydrogenchloride

: 1190-63-2
hexadecyl stearate

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
at 160℃;

...Expand

cetyl acetate: cetyl acetate

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) oxide at 180℃;

: 7748-25-6
potassium chloroacetate

palmitynacidic potassium: palmitynacidic potassium

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With ethanol at 70 - 75℃; Electrolysis;

stearic acid cetyl ester: stearic acid cetyl ester

: 4860-03-1
1-Chlorohexadecan

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride at 160℃;

: 7647-01-0
hydrogenchloride

: 36653-82-4
1-Hexadecanol

ZnCl2: ZnCl2

: 4860-03-1
1-Chlorohexadecan

...Expand

: 4860-03-1
1-Chlorohexadecan

: 112-82-3
hexadecanyl bromide

Conditions

Conditions	Yield
With sodium bromide; 1,1-dibromomethane In N,N-dimethyl-formamide at 100℃; for 6h; different amounts of NaBr; further temperatures;	99%

: 616-47-7
1-methyl-1H-imidazole

: 4860-03-1
1-Chlorohexadecan

: 1-hexadecyl-3-methylimidazolium chloride

Conditions

Conditions	Yield
at 160℃; for 0.5h; Microwave irradiation; Neat (no solvent);	98%
for 0.0527778h; Microwave irradiation; neat (no solvent);	92%
In N,N-dimethyl-formamide at 90℃; for 70h; Inert atmosphere;	86%

: 4860-03-1
1-Chlorohexadecan

: 90-43-7
2-Phenylphenol

: 52820-10-7
biphenyl-2-yl-hexadecyl ether

Conditions

Conditions	Yield
Stage #1: 2-Phenylphenol With potassium hydroxide In dimethyl sulfoxide at 100℃; for 2h; Inert atmosphere; Stage #2: 1-Chlorohexadecan In dimethyl sulfoxide at 70 - 80℃; for 7.5h;	96%

: 4860-03-1
1-Chlorohexadecan

: 95704-32-8
tris(2-phenylethyl)phosphine

: C40H60P(1+)*Cl(1-)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 160℃; for 8h; Inert atmosphere;	93.1%

: 108-01-0
2-(N,N-dimethylamino)ethanol

: 4860-03-1
1-Chlorohexadecan

: 24625-03-4
N,N-dimethyl-N-hexadecyl-N-(2-hydroxyethyl)ammonium chloride

Conditions

Conditions	Yield
In ethanol Reflux;	92%
In methanol for 16h; Heating;	52%
In methanol for 24h; Reflux;	40%
at 60 - 70℃;

: 4860-03-1
1-Chlorohexadecan

: 544-76-3
Hexadecane

Conditions

Conditions	Yield
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 80℃; for 6h; Product distribution;	91%
With sodium tetrahydroborate; 1-{6-[dibutyl(chloro)stannyl]hexyl}-3-methyl-1H-imidazolium iodide In methanol; acetonitrile at 80℃; for 36h; Inert atmosphere;	81%
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In toluene Heating;	68 % Chromat.
With hydrogen In n-heptane at 199.84℃; under 22502.3 Torr; Kinetics; Autoclave;

: 4860-03-1
1-Chlorohexadecan

: 1228996-38-0
2-(diphenylphosphinyl)-N-[3-(1H-imidazol-1-yl)propyl]-acetamide

: 1228996-23-3
1-[3-[[(diphenylphosphinyl)acetyl]amino]propyl]-3-hexadecyl-1H-imidazol-3-ium chloride

Conditions

Conditions	Yield
In acetonitrile Sealed tube; Reflux;	91%

: 4860-03-1
1-Chlorohexadecan

: 127-08-2
potassium acetate

: 629-70-9
hexadecyl acetate

Conditions

Conditions	Yield
With aluminum oxide at 275℃; for 0.0416667h; Irradiation;	90%

: 4860-03-1
1-Chlorohexadecan

: 5188-07-8
sodium thiomethoxide

: 27563-68-4
methyl n-hexadecyl sulfide

Conditions

Conditions	Yield
In ethanol Substitution; Heating;	87%

: 288-32-4
1H-imidazole

: 4860-03-1
1-Chlorohexadecan

: 58175-55-6
1-hexadecyl-1H-imidazole

Conditions

Conditions	Yield
With sodium hydroxide; tetraethylammonium bromide In benzene for 72h; Heating;	86%

: 108-89-4
picoline

: 4860-03-1
1-Chlorohexadecan

: 13106-53-1
1-hexadecyl-4-methyl pyridinium chloride

Conditions

Conditions	Yield
for 12h; Heating;	85%
at 135 - 145℃;	118 g

: 4860-03-1
1-Chlorohexadecan

: 74367-78-5
3,5-dinitrobenzyl chloride

: 1618101-59-9
(3,5-dinitrobenzyl)(hexadecyl)sulfane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.25h;	84%

: 4860-03-1
1-Chlorohexadecan

: N,N-bis(2-sulfonic acid ethyl)amine

: 78108-00-6
N,N-bis(2-sulfoethyl)-1-hexadecanamine

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 50℃; for 1h; pH=9 - 10;	84%

: 4860-03-1
1-Chlorohexadecan

: 124-38-9
carbon dioxide

: 5787-50-8
sodium 4-tert-butylphenolate

: n-hexadecyl 5-tert-butyl-2-hydroxybenzoate

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 15 - 75℃; under 5250.53 Torr; for 10h; Temperature; Reagent/catalyst;	82.3%

...Expand

: 4860-03-1
1-Chlorohexadecan

: 97818-15-0
2-amino-1,3-bis(1-ethoxyethoxy)-4-E-D-erythro-octadec-4-ene

: 1,3-bis(1-ethoxyethoxy)-2-hexadecanamido-4-E-D-erythro-octadec-4-ene

Conditions

Conditions	Yield
With dmap In pyridine at 20℃; for 1h;	81%

: 4860-03-1
1-Chlorohexadecan

: 124-38-9
carbon dioxide

: 75376-45-3
sodium salt of 2,4-di-tertbutylphenol

: 3,5-di-tert-butyl-2-hydroxybenzoic acid n-hexadecyl ester

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 15 - 75℃; under 5250.53 Torr; for 10h; Temperature; Reagent/catalyst;	79.5%

...Expand

poly(monoethanolamine vinyl ether), weight-average molecular weight 720; monomer(s) monoethanolamine vinyl ether: poly(monoethanolamine vinyl ether), weight-average molecular weight 720; monomer(s) monoethanolamine vinyl ether

: 4860-03-1
1-Chlorohexadecan

poly-N-(2-vinyloxyethyl)-N-hexadecylammonium chloride: poly-N-(2-vinyloxyethyl)-N-hexadecylammonium chloride

Conditions

Conditions	Yield
In isopropyl alcohol for 16h; Heating;	78%

1-Chlorohexadecane Specification

The Hexadecane,1-chloro-, with the CAS registry number 4860-03-1 and EINECS registry number 225-461-7, has the systematic name of 1-chlorohexadecane. It belongs to the following product categories: Pharmaceutical Intermediates; Alkyl Chlorides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. And the molecular formula of the chemical is C₁₆H₃₃Cl.

The characteristics of Hexadecane,1-chloro- are as followings: (1)ACD/LogP: 8.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.94; (4)ACD/LogD (pH 7.4): 8.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1737996.5; (8)ACD/KOC (pH 7.4): 1737996.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 81.02 cm³; (15)Molar Volume: 304 cm³; (16)Polarizability: 32.12×10^-24cm³; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 0.858 g/cm³; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000547 mmHg at 25°C.

Preparation of Hexadecane,1-chloro-: This chemical can be prepared by hexadecan-1-ol. The reaction will need reagent 37% aq. HCl, and hexadecylpyridinium bromide. The reaction time is 16 hours with heating, and the yield is about 92%.

Uses of Hexadecane,1-chloro-: It can react with 1H-imidazole to produce 1-hexadecyl-1H-imidazole. This reaction will need reagent bromure de tetraethylammonium and 18 M NaOH, and the menstruum benzene. The reaction time is 72 hours with heating, and the yield is about 86%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
(3)InChIKey: CLWAXFZCVYJLLM-UHFFFAOYAB

Product Name

1-Chlorohexadecane

Synthetic route

1-Chlorohexadecane Specification

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