Methanone, (4-hydroxyphenyl)(4-methoxyphenyl)-
Basic information
- CAS
61002-54-8- Standard SMILES
COc1ccc(C(=O)c2ccc(O)cc2)cc1- InChIKey
LGJXZWFPIDESNQ-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- Methanone, (4-hydroxyphenyl)(4-methoxyphenyl)-
- IUPAC
- (4-hydroxyphenyl)-(4-methoxyphenyl)methanone
- English name
- 4-Hydroxyphenyl 4-Methoxyphenyl ketone
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
61002-54-8(4-hydroxyphenyl)-(4-methoxyphenyl)methanone4-Hydroxyphenyl 4-methoxyphenyl ketone4-hydroxy-4'-methoxybenzophenoneBenzophenone, 4-hydroxy-4'-methoxy-Methanone, (4-hydroxyphenyl)(4-methoxyphenyl)-DTXSID90209883RefChem:811663DTXCID40132374621-235-0(4-hydroxyphenyl)(4-methoxyphenyl)methanoneSCHEMBL1817437
Show more names
4-[(4-methoxyphenyl)carbonyl]phenol
4-hydroxy-4'methoxybenzophenoneLGJXZWFPIDESNQ-UHFFFAOYSA-N4-hydroxy-4'-methoxy-benzophenoneMFCD00020168AKOS004119316DB-131061CS-0438611H52904
Database identifiers
- CAS
61002-54-8- PubChem CID
- 186743
- DTXSID
DTXSID90209883- EC Number
- 621-235-0
- Nikkaji
- J908.053H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- solubility
- Chloroform
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4-Hydroxy-4''-methoxybenzophenone is an intermediate in the synthesis of Nitromifene Citrate (E/Z mixture) (N496700). Nitromifene Citrate s a non-steroidal estrogen antagonist. It is structurally similar to Tamoxifen (T006000) which is a selective estrogen response modifier (SERM).
Preparation methods
PreparationPreparation by reduction of 4-methoxy- 4-nitro-benzophenone with stannous chloride and hydrochloric acid, followed by diazotization of the resulting 4-amino-4-methoxybenzophenone and hydrolysis of the diazonium salt.
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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