Home Other Building Blocks 1-Chloromethyl naphthalene

1-Chloromethyl naphthalene

CAS No.:
86-52-2
Catalog Number:
AG0032QX
Molecular Formula:
C11H9Cl
Molecular Weight:
176.6422
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Product Description
Catalog Number:
AG0032QX
Chemical Name:
1-Chloromethyl naphthalene
CAS Number:
86-52-2
Molecular Formula:
C11H9Cl
Molecular Weight:
176.6422
MDL Number:
MFCD00004042
IUPAC Name:
1-(chloromethyl)naphthalene
InChI:
InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChI Key:
XMWGTKZEDLCVIG-UHFFFAOYSA-N
SMILES:
ClCc1cccc2c1cccc2
NSC Number:
8473
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.643g/mol
Monoisotopic Mass:
176.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Palladium-catalyzed amination of chloromethylnaphthalene and chloromethylanthracene derivatives with various amines. Journal of the American Chemical Society 20120328
Synthesis and application of highly reactive amino linkers for functional oligonucleotides. Current protocols in nucleic acid chemistry 20120301
Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101
3,14-Dimethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosa-ne-(naphthalen-1-yl)methanol (1/2). Acta crystallographica. Section E, Structure reports online 20120101
Nucleophilic dearomatization of chloromethyl naphthalene derivatives via η3-benzylpalladium intermediates: a new strategy for catalytic dearomatization. Organic letters 20111007
Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound. Journal of combinatorial chemistry 20090112
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. Journal of combinatorial chemistry 20090112
1-(4-Methyl-1-naphth-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20081201
Occupational contact dermatitis (drug-induced medicamentosa): six case reports. International journal of immunopathology and pharmacology 20070101
Properties