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Cas Database |
| Name |
3'-Hydroxypropiophenone |
EINECS | 236-027-1 |
| CAS No. | 13103-80-5 | Density | 1.104 g/cm3 |
| PSA | 37.30000 | LogP | 1.98490 |
| Solubility | N/A | Melting Point |
82 °C |
| Formula | C9H10O2 | Boiling Point | 288.9 °C at 760 mmHg |
| Molecular Weight | 150.177 | Flash Point | 121.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 63366;m-Hydroxypropiophenone;Propiophenone,3'-hydroxy- (7CI,8CI);1-(3-Hydroxyphenyl)-1-propanone; |
Article Data | 18 |
3'-Hydroxypropiophenone Synthetic route
- 55789-02-1
α-ethyl-3-hydroxybenzyl alcohol
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 72h; | 97% |
- 37951-49-8
1-(3-methoxyphenyl)propan-1-one
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 1-(3-methoxyphenyl)propan-1-one With aluminum (III) chloride In toluene at 20℃; for 5h; Heating / reflux; Stage #2: With hydrogenchloride; water In toluene | 94% |
| With aluminum (III) chloride In toluene at 20℃; for 5h; Heating / reflux; | 94% |
| With pyridine; hydrogenchloride at 210℃; for 0.5h; | 85% |
| With hydrogen bromide; acetic acid at 100℃; for 6h; | 1.73 g |
- 121-71-1
3-Hydroxyacetophenone
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer In water at 110℃; for 3h; Inert atmosphere; Sealed tube; | 63% |
- 1197-05-3
1-(3-amino-phenyl)-propan-1-one
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With sulfuric acid und Eintragen des Reaktionsgemisches in wss. NaNO2-Loesung in der Waerme; | |
| With hydrogenchloride; sodium nitrite in der Kaelte und Erwaermen des Reaktionsgemisches; | |
| With sulfuric acid; sodium nitrite und Eintragen des Reaktionsgemisches in mit Toluol ueberschichtete, auf 60grad erwaermte wss. Schwefelsaeure; |
- 15789-04-5
N,N-diethyl 3-hydroxybenzamide
- 925-90-6
ethylmagnesium bromide
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With diethyl ether; dibutyl ether Erhitzen des vom Diaethylaether befreiten Reaktionsgemisches auf Siedetemperatur und anschliessende Hydrolyse; |
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 5453-62-3
β-dimethylamino-m-hydroxypropiophenone hydrochloride
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| With ethanol; nickel at 80℃; under 58840.6 Torr; Hydrogenation; |
- 36282-40-3
(3-methoxyphenyl)magnesium bromide
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 97 percent / tetrahydrofuran; diethyl ether / -70 °C 2: 85 percent / pyridine, concd. HCl / 0.5 h / 210 °C View Scheme |
- 100-83-4
meta-hydroxybenzaldehyde
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 58 percent / diethyl ether / 1 h 2: 97 percent / DDQ / dioxane / 72 h View Scheme |
- 16446-73-4
3-(chlorocarbonyl)phenyl acetate
- 13103-80-5
1-(3-hydroxyphenyl)propan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: anschliessendes Behandeln mit wss. Natronlauge 2: dibutyl ether; diethyl ether / Erhitzen des vom Diaethylaether befreiten Reaktionsgemisches auf Siedetemperatur und anschliessende Hydrolyse View Scheme |
3'-Hydroxypropiophenone Specification
The 3'-Hydroxypropiophenone, with the CAS registry number 13103-80-5, is also known as NSC63366. Its EINECS registry number is 236-027-1. This chemical's molecular formula is C9H10O2 and molecular weight is 150.1745. Its IUPAC name is called 1-(3-hydroxyphenyl)propan-1-one.
Physical properties of 3'-Hydroxypropiophenone: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.99; (5)ACD/BCF (pH 7.4): 16.65; (6)ACD/KOC (pH 5.5): 264.3; (7)ACD/KOC (pH 7.4): 259.09; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 42.79 cm3; (13)Molar Volume: 135.9 cm3; (14)Surface Tension: 42.6 dyne/cm; (15)Density: 1.104 g/cm3; (16)Flash Point: 121.4 °C; (17)Enthalpy of Vaporization: 54.94 kJ/mol; (18)Boiling Point: 288.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00131 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)C1=CC(=CC=C1)O
(2)InChI: InChI=1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
(3)InChIKey: YXOGDBMOFMQLEU-UHFFFAOYSA-N
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