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Home Other Building Blocks n-Butyl Chloroformate

n-Butyl Chloroformate

CAS No.:
592-34-7
Catalog Number:
AG0034KN
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
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Product Description
Catalog Number:
AG0034KN
Chemical Name:
n-Butyl Chloroformate
CAS Number:
592-34-7
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD00000650
IUPAC Name:
butyl carbonochloridate
InChI:
InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChI Key:
NRDQFWXVTPZZAZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cl
EC Number:
209-750-5
NSC Number:
8428
UN Number:
2743
Properties
Complexity:
72.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Simultaneous derivatization and dispersive liquid-liquid microextraction of anilines in different samples followed by gas chromatography-flame ionization detection. Talanta 20120915
Molecularly imprinted-solid phase extraction combined with simultaneous derivatization and dispersive liquid-liquid microextraction for selective extraction and preconcentration of methamphetamine and ecstasy from urine samples followed by gas chromatography. Journal of chromatography. A 20120727
Derivatisation in gas chromatographic determination of acidic herbicides in aqueous environmental samples. Analytical and bioanalytical chemistry 20031001
Solid-phase micro-extraction-gas chromatography-mass spectrometry and headspace-gas chromatography of tetrahydrocannabinol, amphetamine, methamphetamine, cocaine and ethanol in saliva samples. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030605
Analysis of acidic pesticides using in situ derivatization with alkylchloroformate and solid-phase microextraction (SPME) for GC-MS. Chemosphere 20010901
Properties