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3,5-Dichloro-4-methylaniline

CAT: 0572-TRC-D435125-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435125-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54730-35-7
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cc1c(Cl)cc(N)cc1Cl
Molecular Formula
C7 H7 Cl2 N
Molecular Weight
176.043
InChI
InChI=1S/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
Additionnal Information
IUPAC name: 3,5-dichloro-4-methylaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,5-Dichloro-4-methylaniline
CAS Number54730-35-7
PubChem CID641154
IUPAC Name3,5-dichloro-4-methylaniline
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
XLogP2.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity106
SMILES
CC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKey
GTEUMCIATAHZFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloro-4-methylaniline
CAS: 54730-35-7
CID: 641154
Formula: C7H7Cl2N
MW: 176.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.04
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass174.9955546
Monoisotopic Mass174.9955546
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity106
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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OR1031367-012,5-Dichloro-4-methylaniline
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