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1-Bromoethyl acetate

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Name

1-Bromoethyl acetate

EINECS 609-807-8
CAS No. 40258-78-4 Density 1.496 g/cm3
PSA 26.30000 LogP 1.29040
Solubility N/A Melting Point N/A
Formula C4H7BrO2 Boiling Point 141.555 °C at 760 mmHg
Molecular Weight 167.002 Flash Point 68.548 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 40258-78-4 (1-Bromoethyl acetate) Hazard Symbols N/A
Synonyms

Ethanol,1-bromo-, acetate (6CI,7CI,9CI);1-Acetoxyethylbromide;a-Bromoethyl acetate;

Article Data 8

1-Bromoethyl acetate Synthetic route

108-05-4

vinyl acetate

64-19-7

acetic acid

40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With hydrogen bromide In dichloromethane at 5 - 10℃; for 1.5h; Inert atmosphere;90.7%
108-05-4

vinyl acetate

40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With iron(III) oxide; tetrabromosilane In water at 12 - 20℃; for 0.5h; Temperature;89%
With hydrogen bromide; toluene-4-sulfonic acid at 15 - 25℃; for 4h; Reagent/catalyst; Temperature;85.7%
With hydrogen bromide at 35℃; for 1h;84%
506-96-7

Acetyl bromide

123-63-7

paracetaldehyde

40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With zinc(II) chloride at -5 - 5℃; for 5h; Temperature;80.06%
506-96-7

Acetyl bromide

75-07-0

acetaldehyde

40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
at 130℃;
40258-78-4

1-bromoethyl acetate

55268-75-2

Cefuroxime

64544-07-6

cefuroxime axetil

Conditions
ConditionsYield
With N,N-dimethyl-formamide; copper dichloride In ethyl acetate at 8 - 30℃; for 1.5h; Temperature; Concentration;98.2%
277313-34-5

6-chloro-2-[5-hydroxy-2-(2-methoxyethoxymethoxy)biphenyl-3-yl]-1-methansulfonyl-1H-indole-5-carbonitrile

40258-78-4

1-bromoethyl acetate

CRA-9076

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 18h;98%
40258-78-4

1-bromoethyl acetate

203448-32-2

phenstatin

C21H24O8

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃;98%
40258-78-4

1-bromoethyl acetate

51146-56-6

(S)-ibuprofen

1418602-99-9

(S)-(+)-ibuprofen-1-acetoxy ethyl ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetone at 20 - 25℃;91.5%
40258-78-4

1-bromoethyl acetate

97232-97-8

cefuroxime

97232-96-7

trans-cefuroxime axetil

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 10℃; for 3h;91.5%
40258-78-4

1-bromoethyl acetate

51146-57-7

(R)-ibuprofene

1418602-98-8

(R)-(-)-ibuprofen-1-acetoxy ethyl ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetone at 20 - 25℃;91.4%

1-Bromoethyl acetate Specification

The CAS register number of 1-Bromoethyl acetate is 40258-78-4. It also can be called as Ethanol, 1-bromo-,1-acetate and the systematic name about this chemical is Ethanol, 1-bromo-,1-acetate. The molecular formula about this chemical is C4H7BrO2 and the molecular weight is 167.00.

Physical properties about 1-Bromoethyl acetate are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 30.046 cm3; (13)Molar Volume: 111.603 cm3; (14)Polarizability: 11.911x10-24cm3; (15)Surface Tension: 32.053 dyne/cm; (16)Enthalpy of Vaporization: 37.874 kJ/mol; (17)Boiling Point: 141.555 °C at 760 mmHg; (18)Vapour Pressure: 5.824 mmHg at 25°C.

Uses of 1-Bromoethyl acetate: it can be used to produce Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester with Lithium-cyclononatetraenid at temperature of -20 ℃. This reaction will need solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(OC(=O)C)C
(2)InChI: InChI=1/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(3)InChIKey: IIASCQBFNHWZBE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(5)Std. InChIKey: IIASCQBFNHWZBE-UHFFFAOYSA-N

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