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Home Halogens 1,4-Dichloro-trans-2-butene

1,4-Dichloro-trans-2-butene

CAS No.:
110-57-6
Catalog Number:
AG009NTS
Molecular Formula:
C4H6Cl2
Molecular Weight:
124.9964
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Product Description
Catalog Number:
AG009NTS
Chemical Name:
1,4-Dichloro-trans-2-butene
CAS Number:
110-57-6
Molecular Formula:
C4H6Cl2
Molecular Weight:
124.9964
MDL Number:
MFCD00000988
IUPAC Name:
(E)-1,4-dichlorobut-2-ene
InChI:
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChI Key:
FQDIANVAWVHZIR-OWOJBTEDSA-N
SMILES:
ClC/C=C/CCl
UNII:
92HZ946H7Y
Properties
Complexity:
34.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
123.985g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.992g/mol
Monoisotopic Mass:
123.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. Bioorganic & medicinal chemistry 20080515
Initial study in rats evaluating the effects of 1,4-dichlorobutene-2 (DCB) on the respiratory tract. Drug and chemical toxicology 20020501
Gas-phase photocatalytic oxidation of dichlorobutenes. Environmental science & technology 20010701
Sensory irritation potential of selected nasal tumorigens in the rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 19850101
Properties