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2-Chloronaphthalene

CAT: 0572-TRC-C373730-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C373730-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91-58-7
Synonyms
Naphthalene, 2-chloro-; 2-Chloronaphthalene; PCN 2; β-Chloronaphthalene; 2-Monochloronaphthalene; 2-MonoCN; 2-MCN; PCN-2
Hazard Statement
Harmful in contact with skin; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1ccc2ccccc2c1
Molecular Formula
C10 H7 Cl
Molecular Weight
162.62
InChI
InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
Additionnal Information
IUPAC name: 2-chloronaphthalene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Chloronaphthalene

Monoclinic plates or off-white crystalline powder. Melting point 59.5 °C.

CAS Number91-58-7
PubChem CID7056
IUPAC Name2-chloronaphthalene
Molecular FormulaC10H7Cl
Molecular Weight162.61
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1=CC=C2C=C(C=CC2=C1)Cl
InChI
InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
CGYGETOMCSJHJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloronaphthalene
CAS: 91-58-7
CID: 7056
Formula: C10H7Cl
MW: 162.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.61
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass162.0236279
Monoisotopic Mass162.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
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

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