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2,6-Dichloroaniline

CAT: 0572-TRC-D431805-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D431805-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608-31-1
Synonyms
Clonidine Hydrochloride Imp. C (EP); Clonidine Imp. C (EP); 2,6-Dichloroaniline; Clonidine Hydrochloride Impurity C; Clonidine Impurity C
Hazard Statement
Toxic if swallowed; UN number: UN3442; Packing Group: II
Purity
>95% (HPLC)
Smiles
Nc1c(Cl)cccc1Cl
Molecular Formula
C6 H5 Cl2 N
Molecular Weight
162.02
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
Additionnal Information
IUPAC name: 2,6-dichloroaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Dichloroaniline

2,6-dichloroaniline is a dichloroaniline.

CAS Number608-31-1
PubChem CID11846
IUPAC Name2,6-dichloroaniline
Molecular FormulaC6H5Cl2N
Molecular Weight162.01
XLogP2.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloroaniline
CAS: 608-31-1
CID: 11846
Formula: C6H5Cl2N
MW: 162.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.01
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass160.9799046
Monoisotopic Mass160.9799046
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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