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Cas Database |
| Name |
4'-Bromoacetophenone |
EINECS | 202-799-3 |
| CAS No. | 99-90-1 | Density | 1.451 g/cm3 |
| PSA | 17.07000 | LogP | 2.65170 |
| Solubility | methanol: 0.1 g/mL, clear | Melting Point |
108-110 °C(lit.) |
| Formula | C8H7BrO | Boiling Point | 259.898 °C at 760 mmHg |
| Molecular Weight | 199.047 | Flash Point | 94.278 °C |
| Transport Information | UN 3261 8/PG 2 | Appearance | white to light yellow crystals |
| Safety | 26-36/37/39-45-22-36/37 | Risk Codes | 34-36/38-42/43-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 C, Xi, Xn
|
| Synonyms |
4-Bromoacetophenone;p-Bromophenyl methyl ketone;Ethanone, 1-(4-bromophenyl)-;1-(4-Bromophenyl)ethanone;p-Bromoacetophenone;Methyl p-bromophenyl ketone;Ethanone, 1- (4-bromophenyl)-;Acetophenone, 4-bromo- (8CI);p-Bromo acetophenone;Acetophenone, 4-bromo-;4-Bromo Acetophenone;4-Bromoacetophenone 99%; |
Article Data | 622 |
4'-Bromoacetophenone Synthetic route
| Conditions | Yield |
|---|---|
| With polymer-supported phenyliodine(III) diacetate; JandaJel-CH2O-TEMPO In 1,2-dichloro-ethane at 70℃; for 12h; | 100% |
| With 2.9-dimethyl-1,10-phenanthroline; oxygen; sodium hydrogencarbonate; gold(I) chloride In water at 100℃; under 38002.6 Torr; for 24h; | 100% |
| With 1,1,1,3',3',3'-hexafluoro-propanol; 5-trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]-iodoxol-1-ol anion; trifluoroacetic acid at 20℃; for 0.25h; | 100% |
| Conditions | Yield |
|---|---|
| With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; azobisisobutyronitrile In acetonitrile at 61℃; for 48h; Rate constant; other temp., other reagents; | 100% |
| With 4-methyl-morpholine; 1.3-propanedithiol; tetrabutyl ammonium fluoride In tetrahydrofuran for 0.0833333h; Ambient temperature; | 74% |
| Conditions | Yield |
|---|---|
| With diiodosilane In chloroform at -42℃; for 0.0166667h; other reagent: iodotrimethylsilane (TMSI); other temp. and mol percent; other ketals and acetals; | 99% |
| With diiodosilane In chloroform at -42℃; for 0.0166667h; other reagent: iodotrimethylsilane (TMSI); | 99% |
| With caro's acid; silica gel In acetonitrile at 20℃; for 0.666667h; | 95% |
- 10591-75-0
4-bromoacetophenone phenylhydrazone
- 99-90-1
para-bromoacetophenone
| Conditions | Yield |
|---|---|
| With quinolinium dichromate(VI) In acetonitrile for 1h; Heating; | 99% |
| With polumer-supported phenyliodine bis(trifluoroacetate); water In tetrahydrofuran for 0.75h; | 85% |
| With manganese(IV) oxide; potassium permanganate In dichloromethane at 20℃; for 10h; | 68% |
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; silver trifluoromethanesulfonate; C75H52AuClN2O2 In methanol; dichloromethane; water at 20℃; for 20h; | 99% |
| With water at 60℃; for 20h; Sealed tube; | 99% |
| With 5,10,15-tris(pentafluorophenyl)corrole cobalt(III) triphenyl phosphine; sulfuric acid; water In methanol at 80℃; for 72h; | 99% |
- 61390-40-7
1-bromo-4-(1,1-diethoxyethyl)benzene
- 99-90-1
para-bromoacetophenone
| Conditions | Yield |
|---|---|
| bismuth(III) iodide In water at 100℃; for 2h; | 99% |
| With copper(II) sulfate; sodium iodide In acetone at 56℃; for 2.5h; | 81% |
| Conditions | Yield |
|---|---|
| With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide In acetonitrile at 20℃; for 0.333333h; Sandmeyer bromination; | 99% |
| With (triphenylphosphine)gold(I) chloride; sodium bromide In acetonitrile at 50℃; for 5h; Sandmeyer Reaction; | 81% |
| Conditions | Yield |
|---|---|
| With oxygen at 190℃; under 760.051 Torr; for 24h; Autoclave; | 99% |
| With hydrogenchloride; sodium nitrite In water at 23℃; for 3h; Sealed tube; | 50% |
| Conditions | Yield |
|---|---|
| With sodium dithionite; potassium carbonate; 1,1′-dioctyl-4,4′-bipyridinium In water; toluene at 35℃; for 3h; | 98% |
| With sodium tetrahydroborate; nickel dichloride In N,N-dimethyl-formamide for 0.25h; | 98% |
| With Methyltrichlorosilane; sodium iodide In acetonitrile for 2h; Ambient temperature; | 98% |
- 110-89-4
piperidine
- 107469-89-6
bis(1-naphthoyl) telluride
A
- 5454-14-8
(naphthalen-1-yl)(piperidin-1-yl)methanone
B
- 99-90-1
para-bromoacetophenone
| Conditions | Yield |
|---|---|
| With para-bromophenacyl bromide In toluene at 25℃; for 2h; | A 98% B 50% |
4'-Bromoacetophenone Chemical Properties
The Molecular Structure of 4'-Bromoacetophenone (CAS NO.99-90-1):
Empirical Formula: C8H7BrO
Molecular Weight: 199.0446
IUPAC Name: 1-(4-bromophenyl)ethanone
Product Categories: Acetophenone Series;FINE Chemical & INTERMEDIATES;Aromatic Acetophenones & Derivatives (substituted);Adehydes, Acetals & Ketones;Bromine Compounds;Acetophenones (Building Blocks for Liquid Crystals);Bifunctional Compounds (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials
Appearance: white to light yellow crystals
Nominal Mass: 198 Da
Average Mass: 199.0446 Da
Monoisotopic Mass: 197.96802 Da
Index of Refraction: 1.554
Molar Refractivity: 43.97 cm3
Molar Volume: 137.1 cm3
Surface Tension: 39 dyne/cm
Density: 1.451 g/cm3
Flash Point: 94.3 °C
Enthalpy of Vaporization: 49.76 kJ/mol
Boiling Point: 259.9 °C at 760 mmHg
Vapour Pressure: 0.0126 mmHg at 25°C
log P (octanol-water): 2.43
Water Solubility: 372 mg/L at 25°C
Vapor Pressure: 0.031 mm Hg at 25°C
Henry's Law Constant: 3.91E-06 atm-m3/mole at 25°C
Atmospheric OH Rate Constant: 1.22E-12 cm3/molecule-sec at 25°C
InChI
InChI=1/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
Smiles
c1(C(C)=O)ccc(Br)cc1
4'-Bromoacetophenone Uses
4'-Bromoacetophenone (CAS NO.99-90-1) is can be used as intermediates of liquid crystals.
4'-Bromoacetophenone Safety Profile
Hazard Codes: 
C
Xi
Xn
Risk Statements: 34-36/38-42/43-36/37/38
R34: Causes burns
R36/38: Irritating to eyes and skin
R42/43: May cause sensitization by inhalation and skin contact
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-45-22-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22: Do not breathe dust
S36/37: Wear suitable protective clothing and gloves
RIDADR: UN 3261 8/PG 2
WGK Germany: 2
RTECS: AM6950000
F: 19-21
F19: Lachrymator
F21: Sensitive to humidity
Hazard Note: Irritant
HS Code: 29147090
4'-Bromoacetophenone Specification
4'-Bromoacetophenone (CAS NO.99-90-1) is also called as 4-Bromoacetophenone ; p-Bromoacetophenone ; Methyl p-bromophenyl ketone ; p-Bromophenyl methyl ketone ; Acetophenone, 4'-bromo- (8CI) ; Ethanone, 1-(4-bromophenyl)- .
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