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3,3'-Dichlorobisphenol A

CAT: 0572-TRC-D433550-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D433550-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79-98-1
Synonyms
4,4'-(1-Methylethylidene)bis[2-chlorophenol]; 2,2-Bis(3-chloro-4-hydroxyphenyl) propane; 2,2-Di(4-hydroxy-3-chlorophenyl)propane; 2,2'-Dichlorobisphenol A; 3,3'-Dichlorodian; NSC 18247
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2
Molecular Formula
C15 H14 Cl2 O2
Molecular Weight
297.18
InChI
InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
Additionnal Information
IUPAC name: 2-chloro-4-[1-(3-chloro-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3,3'-Dichlorobisphenol A

structure in first source

CAS Number79-98-1
PubChem CID66238
IUPAC Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol
Molecular FormulaC15H14Cl2O2
Molecular Weight297.2
XLogP5.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity281
SMILES
CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
InChIKey
XBQRPFBBTWXIFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dichlorobisphenol A
CAS: 79-98-1
CID: 66238
Formula: C15H14Cl2O2
MW: 297.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.2
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass296.0370851
Monoisotopic Mass296.0370851
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity281
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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sc-2066913,3'-Dichlorobisphenol A
1608103,5-Dichlorobisphenol A
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JFC42829-013- (3,3,3-Trifluoropropyl) aniline
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