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1-Bromobutane CAS No.:109-65-9

1-Bromobutane CAS No.:109-65-9

The 1-Bromobutane, with the CAS registry number 109-65-9,is also known as n-Butyl bromide. It belongs to the product categories of Pharmaceutical Intermediates;Organics. This chemical's molecular formula is C4H9Br and molecular weight is 137.02.Its EINECS number is 203-691-9. What's...

The 1-Bromobutane, with the CAS registry number 109-65-9,is also known as n-Butyl bromide. It belongs to the product categories of Pharmaceutical Intermediates;Organics. This chemical's molecular formula is C4H9Br and molecular weight is 137.02.Its EINECS number is 203-691-9. What's more,Its systematic name is 1-Bromobutane. It is a clear colorless to slightly yellow liquid which is stable, incompatible with strong oxidizing agents,strong bases,flammable-note low flash point.It is commonly used as an alkylating agent, or in combination with magnesium metal in dry ether (Grignard reagent) to form carbon-carbon bonds. It may also be used to form other organometallic compounds, such as n-butyllithium.


Physical properties about 1-Bromobutane are:

(1)ACD/LogP:  2.828; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.83; (4)ACD/LogD (pH 7.4):  2.83; (5)ACD/BCF (pH 5.5):  83.07; (6)ACD/BCF (pH 7.4):  83.07; (7)ACD/KOC (pH 5.5):  823.30; (8)ACD/KOC (pH 7.4):  823.30; (9)#H bond acceptors:  0; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  2; (12)Index of Refraction:  1.439; (13)Molar Refractivity:  28.312 cm3; (14)Molar Volume: 107.744 cm3; (15)Surface Tension:  26.0580005645752 dyne/cm; (16)Density:  1.272 g/cm3; (17)Flash Point:  23.889 °C; (18)Enthalpy of Vaporization:  32.51 kJ/mol; (19)Boiling Point:  101.623 °C at 760 mmHg; (20)Vapour Pressure:  40.25 mmHg at 25°C.


You can still convert the following datas into molecular structure:

(1)SMILES:BrCCCC;

(2)Std. InChI:InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3  ;

(3)Std. InChIKey:MPPPKRYCTPRNTB-UHFFFAOYSA-N.


Preparation of 1-Bromobutane:

Place 30 cm3 of water, 35 g of powdered sodium bromide and 25 cm3 of butan-1-ol in a 250 cm3 round bottomed flask. Fit a tap funnel to the flask via a stillhead. Place 25 cm3 of concentrated sulphuric acid in the tap funnel, and then allow the acid to fall drop by drop into the flask, keeping the contents well shaken and cooled occasionally in an ice-water bath. When the addition is complete, replace the tap funnel and stillhead with a reflux water condenser and gently boil the mixture over a sand-bath for about 45 minutes, shaking the flask gently from time to time.Remove the reflux condenser and rearrange the apparatus for distillation. Distil off the crude 1-bromobutane (about 30 cm3). Shake the distillate with water in a separating funnel, and run off the lower layer of 1-bromobutane; reject the aqueous layer.Return the 1-bromobutane to the funnel, add about half its volume of concentrated hydrochloric acid, and shake. Run off and discard the lower layer of acid. Shake the 1-bromobutane cautiously with dilute sodium carbonate solution, cautiously releasing the pressure at intervals.Run off the lower layer of 1-bromobutane and add some granular anhydrous calcium chloride. Swirl the mixture until the liquid is clear. Filter the 1-bromobutane into a clean dry flask, and distil it, collecting the fraction boiling between 99 - 102°C.


Safety Information of 1-Bromobutane:

The 1-Bromobutane is irritating to eyes, respiratory system and skin and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.This material and/or its container must be disposed of as hazardous waste. And it is flammable ,so it shoud  be Keep away from sources of ignition - No smoking.When you use it ,wear suitable gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.


The toxicity data of 1-Bromobutane are as follows:

Organism

Test Type

Route

Reported Dose (Normalized Dose)

Effect

Source

mammal (species unspecified)

LC50

inhalation

25800mg/m3 (25800mg/m3)


Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.

mouse

LD50

intraperitoneal

1424mg/kg (1424mg/kg)


Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

rat

LD50

intraperitoneal

4450mg/kg (4450mg/kg)


Journal fuer Praktische Chemie. Vol. 320, Pg. 133, 1978.

rat

LD50

oral

2761mg/kg (2761mg/kg)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: TREMOR
BEHAVIORAL: ATAXIA

National Technical Information Service. Vol. OTS0540435,

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