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Bisphenol A bis(3-chloro-2-hydroxypropyl) Ether

CAT: 0572-TRC-B519665-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B519665-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4809-35-2
Synonyms
2-Propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-chloro-; 2-Propanol, 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-chloro- (7CI,8CI); 2,2-Bis[4-(3-chloro-2-hydroxypropoxy)phenyl]propane; BADGE.2HCl; Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC(O)CCl)cc2
Molecular Formula
C21 H26 Cl2 O4
Molecular Weight
413.33
InChI
InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3
Additionnal Information
IUPAC name: 1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
CAS Number4809-35-2
PubChem CID3479589
IUPAC Name1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
Molecular FormulaC21H26Cl2O4
Molecular Weight413.3
XLogP4.6
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity369
SMILES
CC(C)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O
InChI
InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3
InChIKey
PTCFDJRJOGPUFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
CAS: 4809-35-2
CID: 3479589
Formula: C21H26Cl2O4
MW: 413.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.3
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass412.1208147
Monoisotopic Mass412.1208147
Topological Polar Surface Area58.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
442971-01Bisphenol A bis (3-chloro-2-hydroxypropyl) Ether
FB184001-01Bisphenol F bis (3-chloro-2-hydroxypropyl) ether
HY-W587519SBisphenol A bis (3-chloro-2-hydroxypropyl) ether-d14
FB173300-01Bisphenol A bis (2-hydroxypropyl) ether
442968-01Bisphenol A (3-chloro-2-hydroxypropyl) Glycidyl Ether
442997-01Bisphenol F bis (3-chloro-2-hydroxypropyl) Ether Para-Para
sc-252491Bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether
sc-252492Bisphenol A bis (2,3-dihydroxypropyl) ether
262821-01Bisphenol F bis (2-chloro-1-propanol) ether
MBS6079334-01Bisphenol F Bis(2-chloro-1-propanol) Ether

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