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638-41-5

Basic Information
CAS No.: 638-41-5
Name: Pentyl chloroformate
Article Data: 11
Molecular Structure:
Molecular Structure of 638-41-5 (Pentyl chloroformate)
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
Synthetic route
71-41-0

pentan-1-ol

32315-10-9

bis(trichloromethyl) carbonate

638-41-5

pentyl chloroformate

Conditions
ConditionsYield
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;
75-44-5

phosgene

71-41-0

pentan-1-ol

638-41-5

pentyl chloroformate

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane at 20℃; Rate constant; Mechanism; var. conc., without HCl;
638-41-5

pentyl chloroformate

57260-71-6

1-t-Butoxycarbonylpiperazine

piperazine-1,4-dicarboxylic acid tert-butyl ester pentyl ester

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;100%
638-41-5

pentyl chloroformate

C39H32FN3O8

C45H42FN3O10

Conditions
ConditionsYield
With pyridine In dichloromethane at -15 - 0℃;99.1%
638-41-5

pentyl chloroformate

amyl azidoformate

Conditions
ConditionsYield
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

638-41-5

pentyl chloroformate

5-[1-(4-pentyloxycarbonylaminobenzyl)-8-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-5-ylmethyl]thiazolidine-2,4-dione

Conditions
ConditionsYield
With pyridine In dichloromethane at 0℃; for 1h;97%
638-41-5

pentyl chloroformate

57822-91-0

2,2,4,4-Tetramethyl-1,3-oxazolidine

pentyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

Conditions
ConditionsYield
With sodium carbonate In dichloromethane at 20℃; for 5h;96%
2022-85-7

Flucytosine

638-41-5

pentyl chloroformate

862508-03-0

(5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamic acid amyl ester

Conditions
ConditionsYield
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 pyridine75%
With tetra(n-butyl)ammonium hydrogensulfate; triethylamine In chloroform; water at 5 - 10℃; for 1h;300 g
638-41-5

pentyl chloroformate

1032900-25-6

5-chloro-N2-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine

pentyl 4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate

Conditions
ConditionsYield
With dmap In dichloromethane at 20℃;96%
638-41-5

pentyl chloroformate

161599-46-8

(2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate

162204-20-8

N1-(2',3'-di-O-acetyl-5'-deoxy-β-D-ribofuranosyl)-5-fluoro-N4-(pentyloxycarbonyl)cytosine

Conditions
ConditionsYield
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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  • Casno:

    638-41-5

    Pentyl chloroformate

    Min.Order: 1 Kilogram

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  • Chloroformic acid n-amyl ester

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    638-41-5

    Pentyl chloroformate

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  • Chloroformic acid n-amyl ester

  • Casno:

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  • Pentyl chloroformate cas no. 638-41-5 98%

  • Casno:

    638-41-5

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  • Casno:

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  • Casno:

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  • Casno:

    638-41-5

    Pentyl chloroformate

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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) .