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1,2,3-Trichloronaphthalene

CAT: 0572-TRC-T798245-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T798245-10MGSize:10 mg
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CAS Number
50402-52-3
Synonyms
Naphthalene, 1,2,3-trichloro-; 1,2,3-Trichloronaphthalene; PCN 13; 1,2,3-TriCN; 1,2,3-TrCN; 123-Trichloronaphthalene; 123-TriCN; 123-TrCN; PCN-13
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (GC)
Smiles
Clc1cc2ccccc2c(Cl)c1Cl
Molecular Formula
C10 H5 Cl3
Molecular Weight
231.51
InChI
InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
Additionnal Information
IUPAC name: 1,2,3-trichloronaphthalene
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Trichloronaphthalene

Trichloronaphthalene is a colorless to pale-yellow solid with an aromatic odor. mp: 93 °C; bp: 304-354 °C. Used in lubricants and in the manufacture of insulation for electrical wire. Presents an environmental danger. If released into the environment, bioaccumulation takes place in fish. Will persist in the environment causing long-term adverse effects. The halowaxes are technical-grade chlorinated naphthalenes containing trichloronaphthalene in its various isomers together with (mainly) tetrachloro-, pentachloro-, and hexa-chloronapthalenes in their various isomers.

CAS Number50402-52-3
PubChem CID524223
IUPAC Name1,2,3-trichloronaphthalene
Molecular FormulaC10H5Cl3
Molecular Weight231.5
XLogP5.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
C1=CC=C2C(=C1)C=C(C(=C2Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
InChIKey
QEPTXDCPBXMWJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichloronaphthalene
CAS: 50402-52-3
CID: 524223
Formula: C10H5Cl3
MW: 231.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass229.945683
Monoisotopic Mass229.945683
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes