CAS No.814-75-5,3-BROMO-2-BUTANONE Suppliers,MSDS download

Products Categories

Pharmaceutical (38)
Others (14)
Organic Chemicals (12)
Reagent (5)
(1)

Basic Information

Molecular Structure:
CAS No.:	814-75-5
Name:	3-BROMO-2-BUTANONE
Article Data:	65

Formula:	C₄H₇BrO
Molecular Weight:	151.003
Synonyms:	(?à)-a-Bromoethyl methyl ketone;1-Bromoethyl methyl ketone;2-Bromo-3-butanone;3-Bromo-2-butanone;3-Bromobutanone;a-Bromoethyl methyl ketone;
EINECS:	212-404-6
Density:	1.434 g/cm³
Boiling Point:	141.5 °C at 760 mmHg
Flash Point:	62.4 °C
Appearance:	clear light yellow to brown liquid
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26
Transport Information:	UN 1224
PSA:	17.07000
LogP:	1.35880

Synthetic route

: 78-93-3
butanone

: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With bromine	100%
With bromine In tetrachloromethane Ambient temperature;	71%
With bromine; acetic acid In water at 20 - 70℃; for 17h;	70%

: 3017-68-3
(Z)-2-Bromo-2-butene

: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With sodium hypobromide In acetic acid; acetone at 0℃;	88%

: 78-93-3
butanone

A: 2648-69-3
3,3-dibromobutan-2-one

B: 3479-86-5
1,1-dibromo-butan-2-one

C: 816-40-0
1-Bromo-2-butanone

D: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With N-Bromosuccinimide; silica gel In methanol for 0.166667h; Reflux;	A n/a B n/a C 14% D 83%

...Expand

: 78-93-3
butanone

A: 816-40-0
1-Bromo-2-butanone

B: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With Oxone; ammonium bromide In methanol at 20℃; for 8h; regioselective reaction;	A 80% B 9%
With 3-bromo-6-chloroimidazo<1,2-b>pyridazine hydrobromide-bromine for 0.5h; Ambient temperature;	A 19% B 58%
With potassium chlorate; bromine at 50℃;

: 22596-46-9
2,3-dimethyl-2-nitro-oxirane

: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With magnesium bromide In diethyl ether at -10℃; for 0.5h;	55%

: 6203-88-9
2-acetoxy-2-butene

: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With tetrachloromethane; bromine anschliessend mit Methanol;

: 64-19-7
acetic acid

: 78-93-3
butanone

A: 4906-24-5
3-acetoxy-2-butanone

B: 1575-57-1
2-oxobutyl acetate

C: 816-40-0
1-Bromo-2-butanone

D: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With bromine; sodium acetate In water Further byproducts given;

...Expand

: 78-93-3
butanone

A: 4906-24-5
3-acetoxy-2-butanone

B: 1575-57-1
2-oxobutyl acetate

C: 816-40-0
1-Bromo-2-butanone

D: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
With bromine; sodium acetate In water; acetic acid Further byproducts given;

...Expand

: 144698-91-9
2-bromo-1-methylpropypperoxy radical

A: 5798-80-1
3-bromo-2-butanol

B: 199802-42-1
3-Bromo-but-2-yl-hydroperoxide

C: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
at 24.9℃; under 400 Torr; Rate constant; Mechanism; (irradiation of a C4H8/Br2/O2/N2-mixture);

...Expand

: 7732-18-5
water

: 7726-95-6
bromine

: 78-93-3
butanone

CaCO3: CaCO3

: 814-75-5
3-bromo-butanone

Conditions

Conditions	Yield
at 50℃;

...Expand

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:63 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 814-75-5

Specification

The 2-Butanone, 3-bromo-, with the CAS registry number 814-75-5 and EINECS registry number 212-404-6, has the systematic name of 3-bromobutan-2-one. It is a kind of clear light yellow to brown liquid, and the molecular formula of the chemical is C₄H₇BrO.

The characteristics of 2-Butanone, 3-bromo- are as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.78; (6)ACD/BCF (pH 7.4): 2.78; (7)ACD/KOC (pH 5.5): 72.39; (8)ACD/KOC (pH 7.4): 72.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 28.3 cm³; (15)Molar Volume: 105.2 cm³; (16)Polarizability: 11.21×10^-24cm³; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.434 g/cm³; (19)Flash Point: 62.4 °C; (20)Enthalpy of Vaporization: 37.87 kJ/mol; (21)Boiling Point: 141.5 °C at 760 mmHg; (22)Vapour Pressure: 5.84 mmHg at 25°C.

Uses of 2-Butanone, 3-bromo-: It can react with formamide to produce 4,5-dimethyl-thiazole. This reaction will need reagent phophorus pentasulphide, and the menstruum benzene. The reaction time is 48 hours, and the yield is about 92%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrC(C(=O)C)C
(2)InChI: InChI=1/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
(3)InChIKey: BNBOUFHCTIFWHN-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	skin	1mL/kg (1mL/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0540938,
rat	LDLo	oral	50mg/kg (50mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0540938,