Basic information
- Standard SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
RXNYJUSEXLAVNQ-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Overview
4,4'-Dihydroxybenzophenone is a member of benzophenones.
Names & identifiers
- Preferred name
- 4,4'-Dihydroxybenzophenone
- IUPAC
- bis(4-hydroxyphenyl)methanone
- English name
- 4,4'-Dihydroxybenzophenone
- Molecular formula
- C13H10O3
- Molecular weight
- 214.22
Names & synonyms
4,4'-Dihydroxybenzophenone611-99-4bis(4-hydroxyphenyl)methanoneMethanone, bis(4-hydroxyphenyl)-Bis(4-hydroxyphenyl) ketoneHBP (ketone)4,4'-dihydoxy-benzophenone4,4'-Dihydroxydiphenyl ketoneBis(p-hydroxy)benzophenonep,p'-DihydroxybenzophenoneBenzophenone, 4,4'-dihydroxy-NSC 2831
Show more names
DHBPHbpHEBPBis(4-hydroxy)benzophenone4,4’-dihydroxy-benzophenonVGLPRO29004,4'-DHBP
BRN 18745724,4'dihydroxybenzophenoneHZR7D31SBYAI3-00127EINECS 210-288-1CCRIS 9457NSC-28314-08-00-02452 (Beilstein Handbook Reference)
Database identifiers
- CAS
611-99-4- PubChem CID
- 69150
- DTXSID
DTXSID1022425- ChEMBL
CHEMBL194859- ChEBI
CHEBI:34365- UNII
- HZR7D31SBY
- EC Number
- 210-288-1
- Nikkaji
- J39.681H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzophenones
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 213 · 213-215 °C(lit.)
- Boiling point
- 314.35 °C · 314.35°C (rough estimate)
- Density
- 1.133 · 1.1330
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.509 · 1.5090 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Fine Crystalline Powder
- pka
- 7.67 · 7.67±0.15(Predicted)
- color
- Off-white to beige
- Water Solubility
- insoluble
- BRN
- 1874572 · 1874572
- InChI
- 1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
- InChIKey
- RXNYJUSEXLAVNQ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C(=O)c2ccc(O)cc2
- LogP
- 2.5 · 2.5
- CAS DataBase Reference
- 611 · 611-99-4(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 7 D31SBY · HZR7D31SBY
- NIST Chemistry Reference
- Bis(4-hydroxyphenyl)methanone(611-99-4)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-43
- Safety Statements
- 26 · 26-36/37-37/39-36
- WGK Germany
- 3 · 3
- RTECS
- 880000 · DJ0880000
- TSCA
- TSCA listed
- HS Code
- 29145000 · 29145000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (84.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23810
Methanone, bis(4-hydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (84.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DJ0880000
- hs_code
- 29145000
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, bis(4-hydroxyphenyl)-: ACTIVE
Applications
Uses4,4'-Dihydroxybenzophenone is as a UV light stabilizer. It and its derivatives are found in cosmetics, plastics, films, adhesives and coatings, optical fiber, and printed circuit boards. It is the precursor to certain polycarbonate polymers.
Preparation methods
PreparationPreparation by demethylation of 4,4′ -dimethoxy-benzophenone with aluminium bromide in refluxing benzene for 4 h (88%).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 4,4'-Dihydroxybenzophenone is a member of benzophenones.
Related reactions
71 records
Linked notes
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