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3,5-Dichlorophenol

CAT: 0572-TRC-D436735-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D436735-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
591-35-5
Synonyms
Phenol, 3,5-dichloro-; 3,5-Dichlorophenol; NSC 60649
Hazard Statement
Causes skin irritation; UN number: UN2020; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1cc(Cl)cc(Cl)c1
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163
InChI
InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
Additionnal Information
IUPAC name: 3,5-dichlorophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,5-Dichlorophenol

3,5-dichlorophenol is a dichlorophenol in which the two chloro substituents are located at positions 3 and 5.

CAS Number591-35-5
PubChem CID11571
IUPAC Name3,5-dichlorophenol
Molecular FormulaC6H4Cl2O
Molecular Weight163.00
XLogP3.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=C(C=C(C=C1Cl)Cl)O
InChI
InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
VPOMSPZBQMDLTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichlorophenol
CAS: 591-35-5
CID: 11571
Formula: C6H4Cl2O
MW: 163.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.00
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.9639201
Monoisotopic Mass161.9639201
Topological Polar Surface Area20.2 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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