Bis(2-hydroxyphenyl)methane
Product Information
Molecular Formula
C13H12O2
Molecular Weight
200.23
Description
Bis(2-hydroxyphenyl)methane (CAS# 2467-02-9) is a dihydroxydiphenyl methane and the ortho analogue of Bisphenol F (B519555). 2,2'-Bis(hydroxyphenyl)methane is a contact sensitizer found in resins and products based on phenol-formaldehyde.
Synonyms
2-[(2-hydroxyphenyl)methyl]phenol
IUPAC Name
2-[(2-hydroxyphenyl)methyl]phenol
SMILES
C1=CC=C(C(=C1)CC2=CC=CC=C2O)O
InChI
InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
InChI Key
MQCPOLNSJCWPGT-UHFFFAOYSA-N
Boiling Point
363-365 °C (Press: 758 Torr)
Melting Point
113-118 °C (lit.)
Purity
> 99.0 % (GC)
Density
1.208±0.06 g/cm3(Predicted)
Appearance
White to light yellow powder to crystal
LogP
2.68860
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
200.083729621 g/mol
Monoisotopic Mass
200.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
173
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113817307-A | Low-temperature low-smoke halogen-free flame-retardant PC material composition and preparation method thereof | 2021-11-11 |
| CN-113248717-A | Polyimide film with high thermal stability and production process thereof | 2021-06-11 |
| CN-113101952-A | Bi4O5I2/Bi5O7I composite photocatalyst and preparation method and application thereof | 2021-04-02 |
| CN-112940250-A | Resin, photosensitive resin composition, and photosensitive resin film | 2021-02-02 |
| CN-112859517-A | Photosensitive resin composition and application thereof | 2020-12-25 |
| CN-112569936-A | Novel metal-doped catalyst for selectively synthesizing bisphenol F, and preparation method and application thereof | 2020-12-14 |
| CN-112358381-A | Method for separating 2, 2' -bisphenol F from bisphenol F isomer mixture | 2020-11-09 |
| CN-112175182-A | Positive photosensitive polyesteramide resin and composition using same | 2020-09-30 |
| WO-2022054897-A1 | Curing agent composition for epoxy resins, epoxy resin composition, and coating material | 2020-09-14 |
| WO-2022050135-A1 | Cured product production method, laminate production method, and semiconductor device production method | 2020-09-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 33049310 | 2021-04-01 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
| 22199670 | 2011-12-01 | Redetermination of 2,4'-methyl-ene-diphenol | Acta crystallographica. Section E, Structure reports online |
| 19348452 | 2009-04-30 | Conformational effects on excitonic interactions in a prototypical H-bonded bichromophore: bis(2-hydroxyphenyl)methane | The journal of physical chemistry. A |
| 19348453 | 2009-04-30 | Conformational isomerization and collisional cooling dynamics of bis(2-hydroxyphenyl)methane | The journal of physical chemistry. A |
| 19097894 | 2009-02-01 | Synthesis and antimicrobial activities of halogenated bis(hydroxyphenyl)methanes | Bioorganic & medicinal chemistry letters |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 15726146 | 2005-03-07 | Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding | Dalton transactions (Cambridge, England : 2003) |
| 15528811 | 2004-11-01 | [2,6-Bis[(dimethylamino)methyl]pyridine-kappa3N](2,2-methylenediphenolato-kappa2O,O')dioxouranium(VI) acetone solvate | Acta crystallographica. Section C, Crystal structure communications |
| 14736233 | 2004-01-29 | Inhibition of the bacterial enoyl reductase FabI by triclosan: a structure-reactivity analysis of FabI inhibition by triclosan analogues | Journal of medicinal chemistry |
| 11258977 | 2001-03-01 | Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens | Chemical research in toxicology |
