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2-Chlorobutane

CAS No.:
78-86-4
Catalog Number:
AG003H1X
Molecular Formula:
C4H9Cl
Molecular Weight:
92.5673
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Product Description
Catalog Number:
AG003H1X
Chemical Name:
2-Chlorobutane
CAS Number:
78-86-4
Molecular Formula:
C4H9Cl
Molecular Weight:
92.5673
MDL Number:
MFCD00000871
IUPAC Name:
2-chlorobutane
InChI:
InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
InChI Key:
BSPCSKHALVHRSR-UHFFFAOYSA-N
SMILES:
CCC(Cl)C
EC Number:
201-151-7
UN Number:
1127
Properties
Complexity:
19.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
92.039g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
92.566g/mol
Monoisotopic Mass:
92.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Comparative evaluation of some flavonoids and tocopherol acetate against the systemic toxicity induced by sulphur mustard. Indian journal of pharmacology 20080601
Effects of ion-pairing and hydration on the SNAr reaction of the F- with p-chlorobenzonitrile in aprotic solvents. Physical chemistry chemical physics : PCCP 20080227
Chiroptical properties of (R)-3-chloro-1-butene and (R)-2-chlorobutane. The journal of physical chemistry. A 20071108
Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling. The journal of physical chemistry. B 20070816
Kinetics, products, and stereochemistry of the reaction of chlorine atoms with cis- and trans-2-butene in 10-700 Torr of N2 or N2/O2 diluent at 297 K. The journal of physical chemistry. A 20070222
Bioremediation of halogenated compounds: comparison of dehalogenating bacteria and improvement of catalyst stability. Chemosphere 20061101
Formation of trimer and dimer radical cations of methyl-substituted benzenes in gamma-irradiated low-temperature matrices. The journal of physical chemistry. A 20060706
Recombination dynamics and hydrogen abstraction reactions of chlorine radicals in solution. The journal of physical chemistry. A 20050519
Conformational effects on optical rotation. 2-Substituted butanes. The journal of physical chemistry. A 20050421
1,2-Chlorine atom migration in 3-chloro-2-butyl radicals: a computational study. Organic & biomolecular chemistry 20030107
Properties