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4,4'-Dihydroxydiphenylmethane

Catalog Number
ACM620928-1
Product Name
4,4'-Dihydroxydiphenylmethane
Structure
CAS
620-92-8
Category
Pressure & Heat Sensitive Recording Materials
IUPAC Name
4-[(4-hydroxyphenyl)methyl]phenol
Molecular Weight
200.23g/mol
Molecular Formula
C13H12O2
Canonical SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
InChI Key
PXKLMJQFEQBVLD-UHFFFAOYSA-N
Boiling Point
Sublimes
Melting Point
162.5 °C;162.5 °C
Solubility
Soluble in ethanol, ether, chloroform, alkali; slightly soluble in DMSO; insoluble in carbon disulfide
Complexity
157
Covalently-Bonded Unit Count
1
EC Number
210-658-2
Exact Mass
200.08373g/mol
Formal Charge
0
Heavy Atom Count
15
Log P
2.91 (LogP);log Kow = 2.91
MeSH Entry Terms
4,4'-bisphenol F;4,4'-methylenebis(phenol);4,4'-methylenebis(phenol), disodium salt;bis(4-hydroxyphenyl)methane;p-hydroxydiphenylmethane
Monoisotopic Mass
200.08373g/mol
NSC Number
401136
Other Experimental
Henry's Law constant = 5.2X10-12 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.2X10-11 cu cm/molecule-sec at 25 °C (est)
Rotatable Bond Count
2
Stability
Stable under recommended storage conditions.
UNII
QD2C19044Z
Vapor Pressure
3.7X10-7 mm Hg at 25 °C (est)
XLogP3
2.9
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