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| CAS No.: | 638-41-5 |
|---|---|
| Name: | Pentyl chloroformate |
| Molecular Structure: | |
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| Formula: | C6H11ClO2 |
| Molecular Weight: | 150.605 |
| Synonyms: | Formicacid, chloro-, pentyl ester (6CI,7CI,8CI);Amyl chloroformate;Chloroformicacid amyl ester;Chloroformic acid pentyl ester;NSC 7913;Pentylchloroformate;Pentyloxycarbonyl chloride;n-Pentyl chloroformate; |
| EINECS: | 211-336-4 |
| Density: | 1.057 g/cm3 |
| Boiling Point: | 164.9 °C at 760 mmHg |
| Flash Point: | 47.7 °C |
| Solubility: | 1.213g/L at 25℃ |
| Hazard Symbols: | C |
| Risk Codes: | 10-23-34 |
| Safety: | 26-36-45 |
| PSA: | 26.30000 |
| LogP: | 2.55200 |
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| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 2h; | 85.6% |
| With triethylamine In tetrahydrofuran at 0 - 20℃; for 1h; | |
| With triethylamine In tetrahydrofuran at 0 - 20℃; for 6.25h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane at 20℃; Rate constant; Mechanism; var. conc., without HCl; |
- 638-41-5
pentyl chloroformate
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1-t-Butoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; | 100% |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at -15 - 0℃; | 99.1% |
- 638-41-5
pentyl chloroformate
| Conditions | Yield |
|---|---|
| With sodium azide In acetone at 20℃; | 98% |
- 882007-15-0
5-[1-(4-aminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione
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pentyl chloroformate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0℃; for 1h; | 97% |
- 638-41-5
pentyl chloroformate
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2,2,4,4-Tetramethyl-1,3-oxazolidine
| Conditions | Yield |
|---|---|
| With sodium carbonate In dichloromethane at 20℃; for 5h; | 96% |
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pentyl chloroformate
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(5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamic acid amyl ester
| Conditions | Yield |
|---|---|
| With pyridine; tetrabutylammomium bromide In dichloromethane at 20℃; for 1.5h; Reagent/catalyst; | 96% |
| With pyridine In dichloromethane at -10 - 20℃; for 2h; Concentration; Inert atmosphere; | 94.3% |
| With pyridine | 75% |
| With tetra(n-butyl)ammonium hydrogensulfate; triethylamine In chloroform; water at 5 - 10℃; for 1h; | 300 g |
- 638-41-5
pentyl chloroformate
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| Conditions | Yield |
|---|---|
| With dmap In dichloromethane at 20℃; | 96% |
- 638-41-5
pentyl chloroformate
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N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine
| Conditions | Yield |
|---|---|
| With potassium phosphate In dichloromethane; isopropyl alcohol at 0 - 25℃; for 4h; Reagent/catalyst; Inert atmosphere; | 94.2% |
| With pyridine In dichloromethane at 0℃; for 1h; | 93% |
| With dmap; potassium carbonate In dichloromethane at 5℃; for 0.75h; Temperature; Solvent; Reagent/catalyst; | 90.6% |
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Chemistry
Molecule structure of Carbonochloridic acid,pentyl ester (CAS NO.638-41-5):
IUPAC Name: Pentyl carbonochloridate
Molecular Weight: 150.60334 g/mol
Molecular Formula: C6H11ClO2
Density: 1.057 g/cm3
Boiling Point: 164.9 °C at 760 mmHg
Flash Point: 47.7 °C
Index of Refraction: 1.425
Molar Refractivity: 36.47 cm3
Molar Volume: 142.4 cm3
Surface Tension: 30.2 dyne/cm
Enthalpy of Vaporization: 40.14 kJ/mol
Vapour Pressure: 1.92 mmHg at 25 °C
Storage Temp.: refrigerator
XLogP3: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 150.044757
MonoIsotopic Mass: 150.044757
Topological Polar Surface Area: 26.3
Heavy Atom Count: 9
Canonical SMILES: CCCCCOC(=O)Cl
InChI: InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
InChIKey: XHRRYUDVWPPWIP-UHFFFAOYSA-N
EINECS of Carbonochloridic acid,pentyl ester (CAS NO.638-41-5): 211-336-4
Safety Profile
Risk Statements: 10-23-34
R10:Flammable.
R23 :Toxic by inhalation.
R34:Causes burns.
Safety Statements: 26-36-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3277
Specification
Carbonochloridic acid,pentyl ester (CAS NO.638-41-5) is also named as Amyl chloroformate ; Chloroformic acid amyl ester ; NSC 7913 ; Pentyl chloroformate ; Formic acid, chloro-, pentyl ester (8CI) .