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Cas Database |
| Name |
4-Phenylphenol |
EINECS | 202-179-2 |
| CAS No. | 92-69-3 | Density | 1.111 g/cm3 |
| PSA | 20.23000 | LogP | 3.05920 |
| Solubility | 0.7 g/L (20 °C) in water | Melting Point |
164-166 °C(lit.) |
| Formula | C12H10O | Boiling Point | 306.387 °C at 760 mmHg |
| Molecular Weight | 170.211 | Flash Point | 147.175 °C |
| Transport Information | UN 3077 | Appearance | Light tan solid (odour threshold detection limit 0.7 ppm) |
| Safety | 26-36/37-61-36 | Risk Codes | 36/37/38-51/53-38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  N
|
| Synonyms |
4-Biphenylol(8CI);4-Diphenylol;4-Hydroxy-1,1'-biphenyl;4-Hydroxybiphenyl;4-Hydroxydiphenyl;[1,1'-Biphenyl]-4-ol;MK 1100;NSC 1858;P-PP;Paraxenol;TetrosinP 300;p-Biphenylol;p-Hydroxybiphenyl;p-Hydroxydiphenyl;p-Phenylphenol;p-Xenol; |
Article Data | 489 |
4-Phenylphenol Synthetic route
- 212687-68-8
2-(phenylethynyl)-3-vinyloxirane
- 92-69-3
4-Phenylphenol
| Conditions | Yield |
|---|---|
| In tetrachloromethane at 160℃; for 1h; Mechanism; sealed tube; | 100% |
- 72536-28-8
2-ethynyl-1-formyl-2-phenylcyclopropane
- 92-69-3
4-Phenylphenol
| Conditions | Yield |
|---|---|
| In tetrachloromethane at 130℃; for 1h; Mechanism; sealed tube; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In water at 70℃; for 1h; Suzuki-Miyaura Coupling; | 100% |
| With [{PdCl(2-(2-thiophenyl)-4,4-dimethyloxazoline)}2]; potassium carbonate In water at 90℃; for 2h; Catalytic behavior; Reagent/catalyst; Suzuki-Miyaura Coupling; | 100% |
| With potassium carbonate; Pd/PS-co-PAEMA-co-PMAA In water at 90℃; for 1h; Suzuki reaction; | 99% |
- 129236-45-9
[1,1′-biphenyl]-4-yl methanesulfonate
- 92-69-3
4-Phenylphenol
| Conditions | Yield |
|---|---|
| With sodium phosphate In aq. phosphate buffer; water; dimethyl sulfoxide at 25℃; for 0.333333h; pH=7.5; Enzymatic reaction; | 100% |
| In cyclohexane Kinetics; Solvent; Photolysis; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With caesium carbonate; polymer-supported PEG-N-heterocyclic carbene Pd In water at 50℃; for 12h; Suzuki reaction; | 99% |
| With potassium carbonate; [PS-PEG-adppp-Pd(η3-C3H5)]Cl In water at 50℃; for 12h; Suzuki-Miyaura coupling; | 99% |
| With potassium carbonate; 10percent Pd/C In water at 20℃; for 12h; Suzuki-Miyaura coupling reaction; | 99% |
| Conditions | Yield |
|---|---|
| With air; Pd-sepiolite; sodium carbonate; palladium In water at 20℃; for 5h; Product distribution; Further Variations:; Reagents; Reaction partners; | 99% |
| With palladium diacetate; sodium carbonate In water for 0.5h; Ambient temperature; | 98% |
| With sodium carbonate at 80℃; for 0.666667h; Green chemistry; | 98% |
| Conditions | Yield |
|---|---|
| With water; palladium diacetate; sodium carbonate at 80℃; for 4h; Suzuki Coupling; Green chemistry; | 99% |
| With palladium diacetate; sodium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 80℃; for 6h; Suzuki-Miyaura Coupling; | 92% |
| With 5%-palladium/activated carbon; oxygen; potassium carbonate In ethanol; water at 80℃; for 0.5h; Suzuki-Miyaura Coupling; | 91% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In water at 25℃; for 10h; Suzuki-Miyaura Coupling; | 99% |
| With potassium phosphate; tetrabutylammomium bromide In water at 95℃; for 20h; Suzuki Coupling; | 95% |
| With tetrabutyl ammonium fluoride; potassium carbonate In water at 100℃; for 9h; Suzuki-Miyaura coupling; | 94% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetrabutylammomium bromide; palladium on activated charcoal at 100℃; for 2h; Suzuki-Miyaura cross-coupling; | 99% |
- 84954-30-3
4-benzyloxybiphenyl
- 92-69-3
4-Phenylphenol
| Conditions | Yield |
|---|---|
| With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.0416667h; Temperature; Time; Microwave irradiation; Inert atmosphere; | 99% |
| With pyridine hydrochloride at 200℃; for 0.333333h; Microwave irradiation; Ionic liquid; | 91% |
| With cyclohexa-1,4-diene; 3,6-bis(dimethylamino)-9H-carbazole; caesium carbonate In dimethyl sulfoxide at 23℃; for 48h; Inert atmosphere; Schlenk technique; Irradiation; | 70% |
| With triethylsilane; bis(1,5-cyclooctadiene)nickel (0); C28H41N2(1+)*Cl(1-); sodium t-butanolate In toluene at 140℃; for 3h; Reagent/catalyst; Temperature; Glovebox; chemoselective reaction; | 99 %Spectr. |
4-Phenylphenol Chemical Properties
Molecular Formula: C12H10O
Molecular Weight: 170.21
EINECS: 202-179-2
Melting point: 164-166 °C(lit.)
Boiling Point: 306.4 °C at 760 mmHg
Flash Point: 147.2 °C
Index of Refraction: 1.604
Molar Refractivity: 52.72 cm3
Molar Volume: 153.1 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.111 g/cm3
Storage temp.: 0-6 °C
Water Solubility: 0.7 g/L (20 °C)
Enthalpy of Vaporization: 56.87 kJ/mol
Vapour Pressure: 0.000428 mmHg at 25 °C
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, halogens. Combustible.
Structure of 4-Phenylphenol (CAS NO.92-69-3):
IUPAC Name: 4-Phenylphenol
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O
InChI: InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKey: YXVFYQXJAXKLAK-UHFFFAOYSA-N
Product Category of 4-Phenylphenol (CAS NO.92-69-3): Industrial/Fine Chemicals;Organics;Phenoles and thiophenoles;Color Former & Related Compounds;Developer;Functional Materials
4-Phenylphenol Uses
4-Phenylphenol (CAS NO.92-69-3) is used for dyes, resins and rubber intermediates.
4-Phenylphenol Toxicity Data With Reference
| 1. | ipr-mus LD50:150 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
4-Phenylphenol Consensus Reports
Reported in EPA TSCA Inventory.
4-Phenylphenol Safety Profile
Acute poison by intraperitoneal route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid, irritating fumes.
The Hazard Codes: 
Xi, 
N
HazardClass: 9
The Risk Statements:
38: Irritating to the skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37: Wear suitable protective clothing and gloves
RIDADR: UN3077
WGK Germany: 2
RTECS: DV5850000
PackingGroup: III
HS Code: 29071900
4-Phenylphenol Specification
4-Phenylphenol , its cas register number is 92-69-3. It also can be called 4-Biphenylol ; 4-Hydroxybiphenyl ; and 1-Hydroxy-4-phenylbenzene . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 4-Phenylphenol (CAS NO.92-69-3) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, carbon dioxide.
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