CAS No.10409-54-8,2-BROMO-2-METHYLPROPIOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10409-54-8
Name:	2-BROMO-2-METHYLPROPIOPHENONE
Article Data:	43

Formula:	C₁₀H₁₁BrO
Molecular Weight:	227.101
Synonyms:	2-Bromo-2-methylpropiophenone;2-Bromoisobutyrophenone;α-Bromoisobutyrophenone;
EINECS:	233-879-6
Density:	1.358 g/cm³
Boiling Point:	253 °C at 760mmHg
Flash Point:	48.2 °C
Appearance:	clear yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-27-37/39
PSA:	17.07000
LogP:	3.04280

Synthetic route

: 611-70-1
phenyl isopropyl ketone

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With hydrogen bromide; bromine In dichloromethane for 4h;	100%
With bromine; acetic acid In tetrachloromethane	98%
With bromine In dichloromethane for 0.25h; Ambient temperature;	94%

: 39753-69-0
2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With bromine In chloroform for 1h;	96%
Multi-step reaction with 2 steps 1: aq. sodium nitrite, aq. hydrochloric acid / ethanol / 24 h 2: 90 percent / bromine / CHCl3 View Scheme

: 46175-01-3
2-methyl-2-nitroso-1-phenyl-1-propanone

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With bromine In chloroform	90%

: 2234-23-3
C17H20O

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With p-nitrobenzenesulfonamide; hydrogen bromide; oxygen; sodium nitrite In water; acetonitrile at 0 - 60℃; under 760.051 Torr; for 24.5h;	89%

: 5912-93-6
1-bromo-2-methyl-1-phenyl-1-propene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With [hydroxy(tosyloxy)iodo]benzene; toluene-4-sulfonic acid In acetonitrile at 40℃; for 15h; Inert atmosphere;	80%

: 538-93-2
1-phenyl-2-methylpropane

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With hydrogen bromide; oxygen In water; ethyl acetate at 20℃; for 24h; Irradiation;	57%

: 20769-85-1
2-bromoisobutyric acid bromide

: 71-43-2
benzene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride
With aluminum (III) chloride In dichloromethane at 20℃; for 1h;

: 768-49-0
(2-methyl-1-propenyl)-benzene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
(i) NBS, aq. DMSO, (ii) CrO3, H2SO4; Multistep reaction;

: 36867-23-9
(1,1-dimethyl-3-trimethylsilanyloxy-butyl)-(2-methyl-propenylidene)-amine

: phenylmagnesium bromide

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
(i) THF, (ii) Br2, (iii) aq. oxalic acid; Multistep reaction;

: 7789-69-7
phosphorus pentabromide

: 611-70-1
phenyl isopropyl ketone

petroleum ether: petroleum ether

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

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Specification

The Phenyl 2-bromo-2-propyl ketone, with the CAS registry number 10409-54-8, is also known as 2-Bromoisobutyrophenone. Its EINECS number is 233-879-6. This chemical's molecular formula is C₁₀H₁₁BrO and molecular weight is 227.1. What's more, its systematic name is 2-Bromo-2-methyl-1-phenylpropan-1-one.

Physical properties of Phenyl 2-bromo-2-propyl ketone are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.08; (6)ACD/BCF (pH 7.4): 92.08; (7)ACD/KOC (pH 5.5): 886.28; (8)ACD/KOC (pH 7.4): 886.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 53.24 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 21.1×10^-24 cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 48.2 °C; (20)Enthalpy of Vaporization: 49.03 kJ/mol; (21)Boiling Point: 253 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-methyl-1-phenyl-propan-1-one at 65 °C. This reaction will need reagent t-butyl bromide and solvent dimethylsulfoxide with the reaction time of 24 hours. The yield is about 70%.

Uses of Phenyl 2-bromo-2-propyl ketone: it can be used to produce 2-methyl-2-phenyl-propionic acid methyl ester at the ambient temperature. It will need reagent AgSbF₆ with the reaction time of 2 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(Br)(C)C
(2)InChI: InChI=1/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3
(3)InChIKey: QMOSZSHTSOWPRX-UHFFFAOYAN