1-Bromobutane supplier | CasNO.109-65-9

Name
1-Bromobutane
EINECS 203-691-9
CAS No. 109-65-9
Article Data197
CAS DataBase
Density 1.271 g/cm³
Solubility water:0.608 g/L (30 °C)
Melting Point -112 °C
Formula C₄H₉Br
Boiling Point 101.6 °C at 760 mmHg
Molecular Weight 137.019
Flash Point 23.9 °C
Transport Information UN 1126 3/PG 2
Appearance clear colorless to slightly yellow liquid
Safety 16-26-60-37/39
Risk Codes 11-36/37/38-51/53-10
Molecular Structure
Hazard Symbols Xi
Synonyms n-Butylbromide;1-Butyl bromide;Butane,1-bromo-;1-Bromobutane [UN1126] [Flammable liquid];n-bromobutane;Butyl bromide;Butane, 1-bromo-;n-butyl Bromide;1-bromobutane 99%;
PSA 0.00000
LogP 2.18140

Synthetic route

: 76906-48-4
4-(2-bromo-1-tert-butyl-vinyl)-morpholine

A: 109-65-9
1-bromo-butane

B: 85429-35-2, 88652-86-2, 88653-14-9
C10H18LiNO

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; diethyl ether at -70℃; for 0.25h;	A n/a B 100%

: 85429-30-7
((E)-2-Bromo-1-phenyl-vinyl)-dimethyl-amine

A: 109-65-9
1-bromo-butane

B: 85429-36-3
C10H12LiN

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; diethyl ether at -70℃; for 0.5h;	A n/a B 100%

: 126-73-8
phosphoric acid tributyl ester

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With salophen(tBu)AlBr In chloroform-d1 at 20℃; for 0.5 - 24h; Product distribution / selectivity;	100%
With (N,N'-ethylenebis(3,5-di-tert-butylsalicylideneimine))AlBr In chloroform-d1 at 20℃; for 0.5 - 24h; Product distribution / selectivity;	12%
With (N,N'-propylenebis(3,5-di-tert-butylsalicylideneimine))AlBr In chloroform-d1 at 20℃; for 0.5 - 24h; Product distribution / selectivity;	7%

: 5162-44-7
1-bromo-4-butene

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride; diethoxymethylane; sodium triethylborohydride In toluene at -78 - 20℃; for 5h;	96%
With Rh4Co; cetyltrimethylammonim bromide; hydrazine hydrate In toluene at 60℃; for 3h; Schlenk technique; Inert atmosphere;

: 71-36-3
butan-1-ol

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With hydrogen bromide at 160℃; under 11251.1 Torr; for 0.0361111h; Concentration; Pressure; Temperature;	93%
With silica bromide In dichloromethane at 20℃; for 0.166667h;	90%
With bromine for 1h; Heating;	89%

: 16629-56-4
dibromo-tri-n-butylstiborane

A: 109-65-9
1-bromo-butane

B: 16629-57-5
di-n-butylantimonbromide

Conditions

Conditions	Yield
heating for 4 h at 220°C;	A n/a B 90%
heating for 4 h at 220°C;	A n/a B 74%
heating for 4 h at 220°C;	A n/a B 74%

: 109-69-3
n-Butyl chloride

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With calcium bromide; tetrahexylammonium bromide at 110℃; for 24h;	89%
With benzyl tri-n-butylammonium bromide at 34.9 - 74.9℃; Kinetics; Thermodynamic data; Ea;
With 1-n-butyl-3-methylimidazolim bromide at 70℃; for 5h; Time;

: 1825-65-6
butoxytrimethylsilane

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With Tri-n-butylfluorphosphoniumbromid In dichloromethane at 20℃; for 72h;	84%
With trimethylsilyl bromide; bismuth(III) bromide In neat (no solvent) at 80℃; for 1h;	95 % Chromat.

: 142-96-1
dibutyl ether

: 201230-82-2
carbon monoxide

: 459-46-1
4-Fluorobenzyl bromide

A: 109-65-9
1-bromo-butane

B: 104548-37-0
(4-Fluoro-phenyl)-acetic acid butyl ester

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer; potassium iodide at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;	A n/a B 83%

...Expand

: 142-96-1
dibutyl ether

: 201230-82-2
carbon monoxide

: 100-39-0
benzyl bromide

A: 109-65-9
1-bromo-butane

B: 122-43-0
butyl phenylacetate

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer at 75 - 90℃; under 760 Torr; Product distribution; overnight, investigation of reactions with variety of benzyl bromides, symmetrical and asymmetrical ethers, with and without KI;	A n/a B 81%
1,5-hexadienerhodium(I)-chloride dimer; potassium iodide at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;	A n/a B 81%

...Expand

: 142-96-1
dibutyl ether

: 201230-82-2
carbon monoxide

: 2746-25-0
p-Methoxybenzyl bromide

A: 109-65-9
1-bromo-butane

B: 104548-38-1
butyl 2-(4-methoxyphenyl)acetate

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;	A n/a B 81%

...Expand

: 76192-14-8
4-(p-chlorophenyl)-1-n-butyl-2,3,5,6-tetraphenylpyridinium bromide

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With 2,4,6-triphenylpyridine at 180 - 220℃; under 0.5 - 1.5 Torr;	75%

: 80351-96-8, 80352-01-8
tributylarsonium-2,2,3,3,4,4-hexafluorocyclobutane ylide

A: 109-65-9
1-bromo-butane

B: 697-08-5
1-bromo-2,3,3,4,4-pentafluorocyclobutene

Conditions

Conditions	Yield
With bromine Ambient temperature;	A 73% B 70%
With bromine Ambient temperature; also I2;	A 73% B 70%

: 74724-76-8
butyldiphenylbismutane

A: 109-65-9
1-bromo-butane

B: 108-86-1
bromobenzene

Conditions

Conditions	Yield
With bromine In tetrahydrofuran at -70 - 0℃; Product distribution;	A 70% B 56%
With bromine In diethyl ether -70 deg C to r.t.;	A 70 % Chromat. B 56 % Chromat.

: 142-96-1
dibutyl ether

: 201230-82-2
carbon monoxide

: 104-81-4
4-Methylbenzyl bromide

A: 109-65-9
1-bromo-butane

B: 93578-99-5
butyl (4-methylphenyl)acetate

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer; potassium iodide at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;	A n/a B 66%

...Expand

: 628-81-9
butyl ethyl ether

: 201230-82-2
carbon monoxide

: 100-39-0
benzyl bromide

A: 109-65-9
1-bromo-butane

B: 74-96-4
ethyl bromide

C: 122-43-0
butyl phenylacetate

D: 101-97-3
Ethyl 2-phenylethanoate

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer; potassium iodide at 75 - 90℃; under 735.5 Torr; overnight or in n-heptane;	A n/a B n/a C 64% D 32%

...Expand

: 142-96-1
dibutyl ether

A: 109-65-9
1-bromo-butane

B: 16456-56-7
Phosphoric acid mono-n-butylester

Conditions

Conditions	Yield
With hydrogen bromide; phosphorus tribromide at 80℃; for 0.666667h;	A 56% B 2%

: 102-82-9
tributyl-amine

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; sodium bromide In acetone Reflux;	55%

: 15018-33-4
2-(ω-bromobutylthio)-4,6-dimethylpyrimidine

A: 109-65-9
1-bromo-butane

B: 2-(4-Butoxy-butylsulfanyl)-4,6-dimethyl-pyrimidine

C: dihydrobromide salt of bis(1,2-dihydro-4,6-dimethyl-2-oxopyrimidinyl-N-butyl) disulfide

Conditions

Conditions	Yield
With butan-1-ol for 15h; Heating;	A 44.6% B 43.4% C 39.6%

...Expand

: 107-01-7
butene-2

A: 109-65-9
1-bromo-butane

B: 78-76-2, 5787-31-5
s-butyl bromide

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; uranium(IV) chloride Product distribution;	A 28% B 42%

: 109-69-3
n-Butyl chloride

A: 109-65-9
1-bromo-butane

B: 507-19-7
t-butyl bromide

C: 78-76-2, 5787-31-5
s-butyl bromide

Conditions

Conditions	Yield
With hydrogen bromide; ferric(III) bromide In dichloromethane at 25℃; for 15h;	A 5% B 3% C 13%

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

A: 109-65-9
1-bromo-butane

B: 111-65-9
octane

Conditions

Conditions	Yield
With bromine In tetrahydrofuran; hexane at -78℃; for 1.5h;	A n/a B 10%

: 106-97-8
n-butane

A: 109-65-9
1-bromo-butane

B: 78-76-2, 5787-31-5
s-butyl bromide

Conditions

Conditions	Yield
With N-Bromosuccinimide; 1,1-Dichloroethylene In dichloromethane at 14 - 15℃;	A 0.186% B 0.081 mmol
With CH3CH2CO2Br In trichlorofluoromethane at -100℃; for 0.25h; Irradiation; selectivities for formation of products; influenec of reagents (i-PrCO2Br, t-BuCO2Br); other temperatures;
With N-Bromosuccinimide In dichloromethane at 15℃; Product distribution; Irradiation; influence of addditive - BrCCl3;
With N-Bromosuccinimide; 1,1-Dichloroethylene In dichloromethane at 14 - 15℃;	A 0.081 mmol B 0.186%

: 106-98-9
1-butylene

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With ascaridole; hydrogen bromide
With hydrogen bromide; 1-bromoacetone unter Ausschluss von Licht und Luft;
With hydrogen bromide at -78℃; Irradiation;

: 693-03-8
n-butyl magnesium bromide

: 64-67-5
diethyl sulfate

: 60-29-7
diethyl ether

: 109-65-9
1-bromo-butane

...Expand

: 693-03-8
n-butyl magnesium bromide

: 60-29-7
diethyl ether

: 100399-48-2
(3-bromo-1-butyl-prop-2-ynyl)-butyl ether

A: 109-65-9
1-bromo-butane

B: 99992-08-2
butyl-(1-butyl-prop-2-ynyl)-ether

...Expand

: 109-72-8, 29786-93-4
n-butyllithium

: 108-86-1
bromobenzene

: 60-29-7
diethyl ether

A: 109-65-9
1-bromo-butane

B: 104-51-8
1-butylbenzene

C: 71-43-2
benzene

...Expand

: 778-28-9
butyl para-toluenesulfonate

: 60-29-7
diethyl ether

: phenylmagnesium bromide

A: 109-65-9
1-bromo-butane

B: 104-51-8
1-butylbenzene

...Expand

: 778-28-9
butyl para-toluenesulfonate

: phenylmagnesium bromide

: 109-65-9
1-bromo-butane

Conditions

Conditions	Yield
With diethyl ether

: 110-86-1
pyridine

: 109-65-9
1-bromo-butane

: 874-80-6
1-butylpyridinium bromide

Conditions

Conditions	Yield
at 100℃; for 40h; Sealed tube;	100%
at 120 - 150℃; under 517.162 - 1654.92 Torr; for 0.3h; Microwave irradiation; Autoclave;	97%
In acetonitrile at 84.99℃; for 48h;	97.6%

: 108-89-4
picoline

: 109-65-9
1-bromo-butane

: 65350-59-6
N-butyl-4-methylpyridinium bromide

Conditions

Conditions	Yield
Darkness;	100%
Darkness;	100%
In ethanol for 24h; Reflux;	100%

: 109-65-9
1-bromo-butane

: 10387-40-3
potassium thioacetate

: 928-47-2
S-butyl ethanethioate

Conditions

Conditions	Yield
In tetrahydrofuran Reflux;	100%
With ethanol

: 109-65-9
1-bromo-butane

: 20333-40-8
dibutyl diselenide

Conditions

Conditions	Yield
With selenium; sodium tetrahydroborate In ethanol; N,N-dimethyl-formamide for 1h;	100%
With selenium; sodium tetrahydroborate In ethanol; N,N-dimethyl-formamide for 0.5h; Inert atmosphere;	90%
With selenium; potassium hydroxide In water at 60℃; for 0.5h; Green chemistry;	90%

: 616-47-7
1-methyl-1H-imidazole

: 109-65-9
1-bromo-butane

: 85100-77-2
1-n-butyl-3-methylimidazolim bromide

Conditions

Conditions	Yield
In toluene for 3h; Alkylation; Heating;	100%
ultrasound;	100%
at 50℃; for 12h; Inert atmosphere;	100%

: 109-65-9
1-bromo-butane

: 2424-01-3
methyldiallylamine

: 69419-83-6
N,N-diallyl-N-methyl-N-butylammonium bromide

Conditions

Conditions	Yield
In acetonitrile at 96℃; for 24h;	100%
In acetone for 96h; Ambient temperature;	42%

: 109-65-9
1-bromo-butane

: 14199-15-6
Methyl 4-hydroxyphenylacetate

: 29056-06-2
(4-butoxy-phenyl)-acetic acid methyl ester

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80 - 100℃; for 3h;	100%
With potassium tert-butylate In dimethyl sulfoxide for 0.5h;	68%
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h;

: 109-65-9
1-bromo-butane

: 91-56-5
indole-2,3-dione

: 4290-91-9
N-butylisatin

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h;	100%
With caesium carbonate In N,N-dimethyl-formamide at 140℃; Microwave irradiation;	93%
With potassium carbonate In N,N-dimethyl-formamide for 0.05h; microwave irradiation;	90%

: 109-65-9
1-bromo-butane

: 141-97-9
ethyl acetoacetate

: 10488-95-6
ethyl 3-oxooctanoate

Conditions

Conditions	Yield
Stage #1: ethyl acetoacetate With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 1h; Stage #2: 1-bromo-butane In tetrahydrofuran; hexane at -78 - 20℃; for 14h; Further stages.;	100%
Stage #1: ethyl acetoacetate With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.25h; Inert atmosphere; Stage #2: With n-butyllithium In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.25h; Inert atmosphere; Stage #3: 1-bromo-butane In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere;	73%
	70%
With n-butyllithium; sodium hydride In tetrahydrofuran; pentane at 0 - 20℃; for 14h;	38%
Stage #1: ethyl acetoacetate With n-butyllithium; sodium hydride In tetrahydrofuran at 0℃; Inert atmosphere; Stage #2: 1-bromo-butane at 0 - 25℃; Inert atmosphere;

: 109-65-9
1-bromo-butane

: 81167-39-7
methyl N-(diphenylmethylene)glycinate

: 203855-78-1
methyl 2-((diphenylmethylene)amino)hexanoate

Conditions

Conditions	Yield
With MeO-PEG; potassium carbonate In acetonitrile for 36h; Heating;	100%

: 109-65-9
1-bromo-butane

: 4-(4-methoxyphenyl)piperidine hydrochloride

: 1-butyl-4-(4-methoxyphenyl)piperidine

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 48h; Alkylation; Heating;	100%

: 3978-81-2
4-tert-butylpyridine

: 109-65-9
1-bromo-butane

: 4-(tert-butyl)-1-butylpyridin-1-ium bromide

Conditions

Conditions	Yield
In ethanol for 16h;	100%
In ethanol Heating;	68%

: 109-65-9
1-bromo-butane

: 939-23-1
p-phenylpyridine

: 1-butyl-4-phenylpyridin-1-ium bromide

Conditions

Conditions	Yield
In ethanol for 16h;	100%
In ethanol Heating;	98%
In ethanol for 24h; Reflux;

: 109-65-9
1-bromo-butane

: 16643-09-7
trimethylstannyl sodium

: 1527-99-7
n-butyltrimethyltin

Conditions

Conditions	Yield
In tetrahydrofuran Kinetics; 0°C in N2-atmosphere, then stored at -10°C; various yields for various conditions;	100%
In not given	43%
In not given	43%

: 109-65-9
1-bromo-butane

: 136630-39-2
2,7-dibromo-9H-carbazole

: 654675-88-4
2,7-dibromo-9-butyl-9H-carbazole

Conditions

Conditions	Yield
Stage #1: 2,7-dibromo-9H-carbazole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 1-bromo-butane In N,N-dimethyl-formamide; mineral oil at 20℃; for 16h; Inert atmosphere;	100%
Stage #1: 2,7-dibromo-9H-carbazole With sodium hydride In N,N-dimethyl-formamide at 0 - 23℃; for 0.5h; Stage #2: 1-bromo-butane In N,N-dimethyl-formamide at 23℃; for 12h;	96%
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 10h;	92%

: 109-65-9
1-bromo-butane

: 1030366-99-4
2,6-bis(1H-benzo[d]imidazol-1-yl)pyridine

: 2,6-bis(3-butylbenzimidazol-1-ium)pyridine dibromide

Conditions

Conditions	Yield
In benzonitrile at 160℃; for 30h;	100%
In N,N-dimethyl-formamide at 100℃;	595 mg

: 3469-69-0
4-iodopyrazole

: 109-65-9
1-bromo-butane

: 918487-10-2
1-butyl-4-iodo-1H-pyrazole

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 70℃;	100%
With sodium hydride In tetrahydrofuran at 70℃;	100%

: 109-65-9
1-bromo-butane

: 133969-91-2
(±)-cis-5-(2-hydroxyethyl)cyclopent-2-enol

: 1-butyloxy-(+/-)-cis-5-(2-butyloxyethyl)cyclopent-2-ene

Conditions

Conditions	Yield
Stage #1: (±)-cis-5-(2-hydroxyethyl)cyclopent-2-enol With potassium hydride In tetrahydrofuran at 0℃; Stage #2: 1-bromo-butane In tetrahydrofuran at 0 - 20℃;	100%

: 109-65-9
1-bromo-butane

: 946415-03-8
C19H20N2

: 1255528-52-9
C23H29N2(1+)*I(1-)

Conditions

Conditions	Yield
With sodium iodide In acetone at 20℃; for 18h;	100%

: 109-65-9
1-bromo-butane

: 1229444-44-3
N-methyl-N-[4-(diphenylphosphino)benzyl]pyrrolidinium bromide

: 2Br(1-)*C28H36NP(2+)

Conditions

Conditions	Yield
In toluene at 95 - 100℃; for 50h;	100%

: 109-65-9
1-bromo-butane

: 1315321-39-1
ethyl 2-((((4-methoxybenzyl)oxy)carbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 1315321-43-7
ethyl 2-(butyl(((4-methoxybenzyl)oxy)carbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%

: 109-65-9
1-bromo-butane

: 124-38-9
carbon dioxide

: 536-74-3
phenylacetylene

: 80220-93-5
phenylpropiolic acid n-butyl ester

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃; under 1520.1 Torr; for 16h; Reagent/catalyst;	100%
Stage #1: carbon dioxide; phenylacetylene With caesium carbonate In dimethyl sulfoxide at 60℃; for 24h; Sealed tube; Inert atmosphere; Stage #2: 1-bromo-butane In dimethyl sulfoxide at 60℃; for 24h;	98%
With caesium carbonate In N,N-dimethyl-formamide at 60℃; under 1520.1 Torr; for 6h;	92%

...Expand

: 109-65-9
1-bromo-butane

: 21642-98-8
2-hydroxy-4-methoxypyridine-3-carbonitrile

: 1056381-91-9
1-n-butyl-4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Reflux;	100%
With potassium carbonate In acetonitrile at 100℃; for 16h;

: 109-65-9
1-bromo-butane

: 1442467-58-4
2-(2-((3-(1H-imidazol-1-yl)propyl)amino)-2-oxoethoxy)-N,N-di-n-octyl-acetamide

: 1442467-59-5
3-n-butyl-1-(3-(2-(2-(di-n-octylamino)-2-oxoethoxy)acetamido)propyl)-1H-imidazol-3-ium bromide

Conditions

Conditions	Yield
In acetonitrile at 0 - 85℃; Inert atmosphere;	100%

: 109-65-9
1-bromo-butane

: 18076-30-7
3,4,5-triphenylpyrazole

: 1-butyl-3,4,5-triphenyl-1H-pyrazole

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 5h;	100%

: 109-65-9
1-bromo-butane

: 844658-92-0
(R)-(-)-[1-phenylethyl]-1H-imidazole

: (R)-1-butyl-3-(1-phenylethyl)imidazolium bromide

Conditions

Conditions	Yield
In toluene Reflux;	100%

: 109-65-9
1-bromo-butane

: L,L-selenohomocystine

: 1601474-70-7
(2S)-2-amino-4-(butylselanyl)butanoic acid

Conditions

Conditions	Yield
With sodium tetrahydroborate; sodium hydroxide In tetrahydrofuran; water at 20℃; for 5h; pH=5 - 7; Inert atmosphere;	100%

1-Bromobutane Specification

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,

Product Name

1-Bromobutane

Synthetic route

1-Bromobutane Specification

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