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| CAS No.: | 26272-90-2 |
|---|---|
| Name: | Cetyl chloroformate |
| Molecular Structure: | |
|
|
|
| Formula: | C17H33 Cl O2 |
| Molecular Weight: | 304.901 |
| Synonyms: | Formicacid, chloro-, hexadecyl ester (6CI); Cetyl chloroformate; Chloroformic acidcetyl ester; Hexadecyl chloroformate; NSC 137911; Palmityloxycarbonyl chloride;n-Hexadecyl chloroformate |
| EINECS: | 247-578-2 |
| Density: | 0.923 |
| Melting Point: | 14 °C |
| Boiling Point: | 367.1 °C at 760 mmHg |
| Flash Point: | >110 ºC |
| Hazard Symbols: |
|
| Risk Codes: | R34;R43 |
| Safety: | S26;S36/37/39;S45 |
| Transport Information: | UN 3265 |
| PSA: | 26.30000 |
| LogP: | 6.84310 |
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| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 48h; Cooling with ice; | 74% |
| Stage #1: bis(trichloromethyl) carbonate With potassium carbonate; N,N-dimethyl-formamide In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #2: 1-Hexadecanol In toluene at 0 - 20℃; for 12h; Inert atmosphere; | 74% |
| With pyridine In chloroform for 2h; ice cooling; | |
| Stage #1: 1-Hexadecanol; bis(trichloromethyl) carbonate In dichloromethane at 10℃; for 1h; Large scale; Stage #2: With triethylamine In dichloromethane for 2h; Cooling with ice; Large scale; Stage #3: In dichloromethane at 20℃; for 2h; Large scale; | 305 kg |
| With pyridine In tetrachloromethane at -20 - 20℃; |
| Conditions | Yield |
|---|---|
| With diethyl ether | |
| In tetrahydrofuran; toluene Ambient temperature; Yield given; | |
| cooling; |
- 26272-90-2
cetyl chloroformate
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran; water | 98% |
- 26272-90-2
cetyl chloroformate
- 54850-40-7
O-hexadecyl carbamate
| Conditions | Yield |
|---|---|
| With ammonia In water at 0 - 20℃; Inert atmosphere; | 95% |
- 26272-90-2
cetyl chloroformate
- 3184-13-2
L-ornithine hydrochloride
- 258875-29-5
Nα,Nδ-bis(hexadecyloxycarbonyl)-L-ornithine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetone for 48h; Acylation; | 93.4% |
- 2941-78-8
2-Amino-5-methylbenzoic acid
- 26272-90-2
cetyl chloroformate
- 890655-08-0
2-(((hexadecyloxy)carbonyl)amino)5-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; Solvent; Reagent/catalyst; Cooling with ice; | 92.3% |
| Stage #1: 2-Amino-5-methylbenzoic acid; cetyl chloroformate With pyridine at 20℃; for 2h; Cooling with ice; Stage #2: With trichlorophosphate at 20℃; for 2h; Reagent/catalyst; | 91.8% |
| With pyridine In dichloromethane | |
| Stage #1: 2-Amino-5-methylbenzoic acid With pyridine In tetrahydrofuran at 5℃; Stage #2: cetyl chloroformate In tetrahydrofuran at 10 - 30℃; for 1h; Solvent; |
- 26272-90-2
cetyl chloroformate
- 4860-03-1
1-Chlorohexadecan
| Conditions | Yield |
|---|---|
| With hexabutylguanidinium chloride at 120℃; for 4h; | 92% |
- 26272-90-2
cetyl chloroformate
- 139301-93-2
9-((3aR,4R,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine
- 1373396-58-7
hexadecyl (9-((3aR,4R,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-yl)carbamate
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 92% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-Amino-5-methylbenzoic acid; cetyl chloroformate With 4-methyl-morpholine In ethanol at 5 - 10℃; for 0.5h; Stage #2: In ethanol at 0 - 30℃; for 30h; Stage #3: With sulfuryl dichloride In ethanol at 10 - 25℃; for 1.83333h; Solvent; | 92% |
- 26272-90-2
cetyl chloroformate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 2h; Inert atmosphere; Cooling with ice; | 91% |
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Chemistry
IUPAC Name: Hexadecyl carbonochloridate
CAS: 26272-90-2
Formula: C17H33ClO2
Molecular Weight: 304.9
Molecular Structure of Hexadecyl carbonochloridate (CAS NO.26272-90-2):
Density: 0.94 g/cm3
Flash Point: 125 °C
Boiling Point: 367.1 °C at 760 mmHg
Index of Refraction: 1.452
Molar Refractivity: 87.43 cm3
Molar Volume: 324 cm3
Polarizability: 34.66×10-24cm3
Surface Tension: 32.1 dyne/cm
Enthalpy of Vaporization: 61.36 kJ/mol
Vapour Pressure: 1.4E-05 mmHg at 25°C
Water Solubility: 0.004501 (mg/L) at 25°C
Safety Profile
Safety Information about Hexadecyl carbonochloridate (CAS NO.26272-90-2):
Hazard Codes:
C: 
Risk Statements about Hexadecyl carbonochloridate (CAS NO.26272-90-2):
R34: Causes burns.
R43: May cause sensitization by skin contact.
Safety Statements about Hexadecyl carbonochloridate (CAS NO.26272-90-2):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Specification
The chemical synonyms of Hexadecyl carbonochloridate (CAS NO.26272-90-2) are Carbonochloridicacid,hexadecylester ; Cetyl chloroformate ; Chloroformic acid cetyl ester ; Chloroformic acid hexadecyl ester ; Chloroformic acid n-hexadecyl ester ; Hexadecyl chlorocarbonate ; Hexadecyl chloroformate ; Chloroformic acid n-hexadeyl ester .