Home Other Building Blocks 3-Chloro-2-methylpropene

3-Chloro-2-methylpropene

CAS No.:
563-47-3
Catalog Number:
AG003781
Molecular Formula:
C4H7Cl
Molecular Weight:
90.5514
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Product Description
Catalog Number:
AG003781
Chemical Name:
3-Chloro-2-methylpropene
CAS Number:
563-47-3
Molecular Formula:
C4H7Cl
Molecular Weight:
90.5514
MDL Number:
MFCD00000953
IUPAC Name:
3-chloro-2-methylprop-1-ene
InChI:
InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
InChI Key:
OHXAOPZTJOUYKM-UHFFFAOYSA-N
SMILES:
CC(=C)CCl
EC Number:
209-251-2
UNII:
7A9X1C3I3O
NSC Number:
7303
RTECS Number:
UC8050000
UN Number:
2554
Properties
Complexity:
38.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.024g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.55g/mol
Monoisotopic Mass:
90.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
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Synthesis and effect on human HepG2 cells of 1,2-bis-(2-methylallyl)disulfane. Molecules (Basel, Switzerland) 20100518
Application of the margin of exposure (MoE) approach to substances in food that are genotoxic and carcinogenic - example: 1-methylcyclopropene and its impurities (1-chloro-2-methylpropene and 3-chloro-2-methylpropene). Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20100101
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature chemical biology 20091001
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Experimental and theoretical studies on formation and degradation of chloro organic compounds. Chemosphere 20060301
Cyclodextrins containing an acetone bridge. Synthesis and study as epoxidation catalysts. Organic & biomolecular chemistry 20041207
Highly regio- and chemoselective palladium-catalyzed propargylallylation of activated olefins: a novel route to 1,7-enyne derivatives. The Journal of organic chemistry 20040611
3-Chloro-2-methylpropene. Report on carcinogens : carcinogen profiles 20040101
3-Chloro-2-methylpropene. Report on carcinogens : carcinogen profiles 20020101
Point mutations of K-ras and H-ras genes in forestomach neoplasms from control B6C3F1 mice and following exposure to 1,3-butadiene, isoprene or chloroprene for up to 2-years. Chemico-biological interactions 20010601
Chronic inhalation toxicity and carcinogenicity studies of 3-chloro-2-methylpropene in BDF1 mice. Industrial health 20000701
Comparative metabolism and disposition of 1-chloro- and 3-chloro-2-methylpropene in rats and mice. Drug metabolism and disposition: the biological fate of chemicals 19870101
Forestomach lesions in rats and mice administered 3-chloro-2-methylpropene by gavage for two years. Cancer research 19861201
Association of chemically induced forestomach cell proliferation and carcinogenesis. Cancer letters 19860901
Properties