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N-(2,6-Dichlorophenyl)aniline

CAT: 0572-TRC-D434060-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D434060-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15307-93-4
Synonyms
2,6-Dichlorodiphenylamine; Benzenamine, 2,6-dichloro-N-phenyl-; Diphenylamine, 2,6-dichloro- (8CI); N-(2,6-Dichlorophenyl)aniline; N-Phenyl-2,6-dichloroaniline
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1cccc(Cl)c1Nc2ccccc2
Molecular Formula
C12 H9 Cl2 N
Molecular Weight
238.11
InChI
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
Additionnal Information
IUPAC name: 2,6-dichloro-N-phenylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Dichloro-N-phenylaniline
CAS Number15307-93-4
PubChem CID84867
IUPAC Name2,6-dichloro-N-phenylaniline
Molecular FormulaC12H9Cl2N
Molecular Weight238.11
XLogP4.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity182
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKey
HDUUZPLYVVQTKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloro-N-phenylaniline
CAS: 15307-93-4
CID: 84867
Formula: C12H9Cl2N
MW: 238.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.11
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass237.0112047
Monoisotopic Mass237.0112047
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity182
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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