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Name	Pentyl chloroformate	EINECS	211-336-4
CAS No.	638-41-5	Density	1.057 g/cm³
PSA	26.30000	LogP	2.55200
Solubility	1.213g/L at 25℃	Melting Point	N/A
Formula	C₆H₁₁ClO₂	Boiling Point	164.9 °C at 760 mmHg
Molecular Weight	150.605	Flash Point	47.7 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36-45	Risk Codes	10-23-34
Molecular Structure		Hazard Symbols	C
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;	Article Data	11

Pentyl chloroformate Synthetic route

: 71-41-0
pentan-1-ol

: 32315-10-9
bis(trichloromethyl) carbonate

: 638-41-5
pentyl chloroformate

Conditions

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;

: 75-44-5
phosgene

: 71-41-0
pentan-1-ol

: 638-41-5
pentyl chloroformate

Conditions

Conditions	Yield
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

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	100%

: 638-41-5
pentyl chloroformate

: C39H32FN3O8

: C45H42FN3O10

Conditions

Conditions	Yield
With pyridine In dichloromethane at -15 - 0℃;	99.1%

: 638-41-5
pentyl chloroformate

: amyl azidoformate

Conditions

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

: 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

Conditions	Yield
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

Conditions	Yield
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

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

: 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

Conditions	Yield
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

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%

Pentyl chloroformate Chemical Properties

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

Pentyl chloroformate 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

Pentyl chloroformate 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) .

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