2-Bromopentane supplier | CasNO.107-81-3

Name
2-Bromopentane
EINECS 203-521-3
CAS No. 107-81-3
Article Data63
CAS DataBase
Density 1.211 g/cm³
Solubility practically insoluble in water
Melting Point -95 °C
Formula C₅H₁₁Br
Boiling Point 118.3 °C at 760 mmHg
Molecular Weight 151.046
Flash Point 20.6 °C
Transport Information UN 2343 3/PG 2
Appearance clear to yellow liquid
Safety 16-26-36/37/39
Risk Codes 11-36/37/38
Molecular Structure
Hazard Symbols F,Xi
Synonyms 2-Pentyl bromide;BRN 1718829;NSC7896;Pentane, 2-bromo-;
PSA 0.00000
LogP 2.56990

Synthetic route

: 109-66-0
pentane

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
With manganese(IV) oxide; bromine at 36℃; for 1h;	A 79% B 20%
With hydrogen bromide; dihydrogen peroxide In water at 20℃; for 6h; Irradiation;
With manganese(IV) oxide; bromine at 36℃; for 1h; Inert atmosphere; Overall yield = 47 %; Overall yield = 0.7 g;

: pentyl 2-pentyl ether

A: 107-81-3
2-bromopentane

B: mono-1-pentyl phosphite

Conditions

Conditions	Yield
With hydrogen bromide; phosphorus tribromide at 80℃; for 0.666667h;	A 66% B 8%

: 6795-88-6
2-methoxypentane

A: 107-81-3
2-bromopentane

B: C5H13O3P

Conditions

Conditions	Yield
With hydrogen bromide; phosphorus tribromide at 55℃; for 0.666667h;	A 52% B 13%
With hydrogen bromide; phosphorus tribromide at 55℃;	A 52% B 13%

: 6032-29-7
(+/-)-2-pentanol

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide
With phosphorus tribromide
With hydrogen bromide at -10℃; und nachfolgenden Erwaermen des Reaktionsgemisches auf 60grad; optically inactive 2-bromo-pentane;

: 26184-62-3
(S)-2-pentanol

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide
With phosphorus tribromide

: 584-02-1
2-pentanol

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide
With phosphorus tribromide

: 109-67-1
1-penten

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With water; hydrogen bromide at 16 - 20℃;
With peroxidene; hydrogen bromide bzw.in Gegenwart von Inhibitoren wie Thiokresol,Diphenylamin oder Hydrochinon;
With HFeBr4 In tetrachloromethane at 4℃;

: 598-61-8
methyl-cyclobutane

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide at 25℃; optically inactive 2-bromo-pentane;

: 3813-69-2
2-pentyl tosylate

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With sodium bromide; diethylene glycol

: 107-82-4
i-pentyl bromide

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
at 230℃;

: 109-68-2
2-pentene

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide

: 109-68-2
2-pentene

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide
With hydrogen bromide optically inactive 2-bromo-pentane;
With hydrogen bromide; acetic acid optically inactive 2-bromo-pentane;
With hydrogen bromide; acetic acid

: Bromosulfurous acid 1-methyl-butyl ester

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
With triethylamine at 80℃; for 3h; Yield given. Yields of byproduct given;

: 626-87-9
1,4-dibromopentane

A: 107-81-3
2-bromopentane

B: 74-85-1
ethene

C: 109-67-1
1-penten

Conditions

Conditions	Yield
With sodium hydroxide; nickel tetraaza macrocycle; water at 25℃;

...Expand

: 109-66-0
pentane

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

C: 110-53-2
1-Bromopentane

Conditions

Conditions	Yield
With Trichloroethylene; N-bromobis(trimethylsilyl)amine at 49.9℃; for 1.58333h; Product distribution; Mechanism; Irradiation; variation of temperature, time, reagents;
With bromine; sodium t-butanolate In cyclohexane at 40℃; Product distribution; Further Variations:; Reagents; Temperatures;

...Expand

: 10035-10-6, 12258-64-9
hydrogen bromide

: 64-19-7
acetic acid

: 109-68-2
2-pentene

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
mixtures of cis-and trans-form of pentene-(2);

...Expand

: 6032-29-7
(+/-)-2-pentanol

: 10035-10-6, 12258-64-9
hydrogen bromide

: 107-81-3
2-bromopentane

: 31087-44-2
(R)-2-pentanol

: 10035-10-6, 12258-64-9
hydrogen bromide

: 107-81-3
2-bromopentane

: 109-67-1
1-penten

: 10035-10-6, 12258-64-9
hydrogen bromide

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
bei Ausschluss von Peroxyden;

: 598-61-8
methyl-cyclobutane

: 10035-10-6, 12258-64-9
hydrogen bromide

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
at 20℃;

: 6032-29-7
(+/-)-2-pentanol

: 7789-60-8
phosphorus tribromide

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
(+-)-pentanol-(2);

: 1809-10-5
3-bromopentane

: 10035-10-6, 12258-64-9
hydrogen bromide

: 64-19-7
acetic acid

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
at 100℃;

...Expand

levorotatory pentanol-(2): levorotatory pentanol-(2)

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With hydrogen bromide dextrorotatory 2-bromo-pentane;

: 3813-69-2
2-pentyl tosylate

lithium bromide: lithium bromide

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With acetone

silver salt of/the/ methylpropylacetic acid: silver salt of/the/ methylpropylacetic acid

: 107-81-3
2-bromopentane

Conditions

Conditions	Yield
With tetrachloromethane; bromine anfangs unter Kuehlung,zuletzt in der Siedehitze;

: 512-85-6
ascaridole

: 627-20-3
(Z)-pent-2-ene

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
at 0℃;

...Expand

: 646-04-8
(E)-pent-2-ene

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

...Expand

: 6032-29-7
(+/-)-2-pentanol

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
Mengenverhaeltnis der Reaktionsprodukte;

...Expand

: 584-02-1
2-pentanol

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 107-81-3
2-bromopentane

B: 1809-10-5
3-bromopentane

Conditions

Conditions	Yield
Mengenverhaeltnis der Reaktionsprodukte;

...Expand

: 107-81-3
2-bromopentane

: 10111-08-7
2-imidazolecarbaldehyde

: 1-(pentan-2-yl)-1H-imidazole-2-carbaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	99%

: 107-81-3
2-bromopentane

: 534-18-9
sodium trithiocarbonate

: 89622-58-2
Trithiocarbonic acid bis-(1-methyl-butyl) ester

Conditions

Conditions	Yield
cetyltributylphosphonium bromide at 70℃; for 2h;	94%

: 107-81-3
2-bromopentane

: 2216-34-4
4-methyloctane

Conditions

Conditions	Yield
With Li2[di-n-butylcyanocuprate] In tetrahydrofuran 1) 0 deg C, 2h, 2) RT, 1h;	94%

: 107-81-3
2-bromopentane

: 138851-61-3
N-(2-fluorophenyl)pyrimidin-2-amine

: N-[2-fluoro-6-(pentan-2-yl)phenyl]pyrimidin-2-amine

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); lithium tert-butoxide In 1,4-dioxane for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction;	94%
With N,N'-di-tert-butylethylenediamine; C40H32N12Ni2; lithium tert-butoxide In 1,4-dioxane at 120℃; for 16h;	92%

: 107-81-3
2-bromopentane

p-MeOC6H4MgX: p-MeOC6H4MgX

: 4125-32-0
4-(1-methyl-butyl)-anisole

Conditions

Conditions	Yield
With iron(III) acetylacetonate; N,N,N,N,-tetramethylethylenediamine; hexamethylenetetramine In tetrahydrofuran at 0℃; for 1.33333h;	93%

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

: 107-81-3
2-bromopentane

: 1-(1-methylbutyl)-3-methylimidazolium hexafluorophosphate

Conditions

Conditions	Yield
With potassium hexafluorophosphate; 1-(1-methylbutyl)-3-methylimidazolium hexafluorophosphate at 80℃; for 15h;	92%

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

: 107-81-3
2-bromopentane

: 3-(1-methylbutyl)-1-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
With sodium tetrafluoroborate; 3-(1-methylbutyl)-1-methylimidazolium tetrafluoroborate at 80℃; for 15h;	91%

: 107-81-3
2-bromopentane

: 123-72-8
butyraldehyde

: 59734-23-5
5-Methyl-4-octanol

Conditions

Conditions	Yield
With magnesium In diethyl ether at 0℃; Grignard reaction;	90%

: 107-81-3
2-bromopentane

: 5460-31-1
3-nitro-o-cresol

: 1-(2-pentyloxy)-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In ethanol Solvent; Reagent/catalyst; Reflux;	88.1%

: 107-81-3
2-bromopentane

p-Me2NC6H4MgX: p-Me2NC6H4MgX

: 96558-50-8
p-(1-methylbutyl)-NN-dimethylaniline

Conditions

Conditions	Yield
With iron(III) acetylacetonate; N,N,N,N,-tetramethylethylenediamine; hexamethylenetetramine In tetrahydrofuran at 0℃; for 1.33333h;	88%

: 120-57-0
piperonal

: 107-81-3
2-bromopentane

: 950188-56-4
N-trimethylsilyl N-methylcyclohexylamine

: N-(1-(benzo[d][1,3]dioxol-5-yl)-2-methylpentyl)-N-methylcyclohexanamine

Conditions

Conditions	Yield
Stage #1: piperonal; N-trimethylsilyl N-methylcyclohexylamine With t-butyldimethylsiyl triflate In toluene for 0.05h; Inert atmosphere; Glovebox; Stage #2: 2-bromopentane With nickel(II) bromide dimethoxyethane; zinc In toluene at 50℃; for 24h; Inert atmosphere; Sealed tube;	88%

...Expand

: 107-81-3
2-bromopentane

: 64-04-0
phenethylamine

: 71797-48-3
N-(1-Methylbutyl)phenethylamine

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20 - 25℃; for 11h; Molecular sieve; chemoselective reaction;	87%

: 107-81-3
2-bromopentane

: 66107-29-7
4-methoxyphenyl triflate

A: 4125-32-0
4-(1-methyl-butyl)-anisole

B: 20056-58-0
1-(4-Methoxyphenyl)pentane

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 2-(dibutylphosphanyl)-1-phenylpyrrole; magnesium; lithium chloride; zinc(II) chloride In tetrahydrofuran at 60℃; for 16h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;	A n/a B 87%

...Expand

: 107-81-3
2-bromopentane

: 446-36-6
5-fluoro-2-nitrophenol

: 4-fluoro-1-nitro-2-(pentan-2-yloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 2h; Reflux;	84.86%

: 107-81-3
2-bromopentane

: 6248-20-0
2,4-dihydroxy-3-methylbenzaldehyde

: 2-hydroxy-3-methyl-4-(pentan-2-yloxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Reflux;	82%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 6h;	60%

: 107-81-3
2-bromopentane

: 2-(((2-hydroxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione

: C20H27NO3

Conditions

Conditions	Yield
Stage #1: 2-(((2-hydroxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione With sodium hydride In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: 2-bromopentane In tetrahydrofuran at 20℃;	82%

: 78646-39-6
2-(4-methoxyphenoxy)pyridine

: 107-81-3
2-bromopentane

: 2-(3-(2-pentyl)-4-methoxyphenoxy)pyridine

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; adamantane-2-carboxylic acid; potassium carbonate In benzene at 120℃; for 24h; Inert atmosphere; Sealed tube;	81%
With [RhCl2(p-cymene)]2; potassium carbonate; (adamant-1-yl)-acetic acid In benzene at 120℃; for 24h; Sealed tube; Inert atmosphere;	62%

: 107-81-3
2-bromopentane

: 1111-72-4
carbon dioxide

: 84628-71-7
2-Methyl-<1-13C>pentansaeure

Conditions

Conditions	Yield
With magnesium	79%

: 107-81-3
2-bromopentane

: 5-[1-(4-chlorophenylsulfonyl)-3-piperidinyl]-1,3,4-oxadiazole-2-thiol

: 5-[1-[(4-chlorophenyl)sulfonyl]-3-piperidinyl]-1,3,4-oxadiazole-2-yl 1-methylbutyl sulfide

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	79%

: 107-81-3
2-bromopentane

: 6190-28-9
N,P,P-triphenylphosphinic amide

: 76716-24-0
C23H26NOP

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In benzene Heating;	76%

: 107-81-3
2-bromopentane

: 103-81-1
Benzeneacetamide

: N-(pentan-2-yl)-2-phenylacetamide

Conditions

Conditions	Yield
Stage #1: 2-bromopentane; Benzeneacetamide With copper(l) iodide; lithium tert-butoxide In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Inert atmosphere; Irradiation;	76%

: 107-81-3
2-bromopentane

: 3',5'-O-bis(tert-butyldimethylsilyl)-N2-dimethylaminomethylene-2'-deoxyguanosine

: 3',5'-O-bis(tert-butyldimethylsilyl)-1-(1-methylbutyl)-N2-dimethylaminomethylene-2'-deoxyguanosine

Conditions

Conditions	Yield
Stage #1: 3',5'-O-bis(tert-butyldimethylsilyl)-N2-dimethylaminomethylene-2'-deoxyguanosine With caesium carbonate In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: 2-bromopentane In tetrahydrofuran at 70℃;	75%

: 107-81-3
2-bromopentane

: 33757-49-2
4-methyl-N-(quinolin-8-yl)benzamide

: 1609183-60-9
4-methyl-2-(pentan-2-yl)-N-(quinolin-8-yl)benzamide

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); Bis<2-(N,N-dimethylamino)aethyl>aether; lithium tert-butoxide In toluene at 160℃; for 20h; Inert atmosphere;	75%

: 107-81-3
2-bromopentane

: 1325815-45-9
1-methyl-N-(quinolin-8-yl)-1H-indole-2-carboxamide

: 1609183-63-2
1-methyl-2-(pentan-2-yl)-N-(quinolin-8-yl)-1H-indole-3-carboxamide

Conditions

Conditions	Yield
With (1,2-dimethoxyethane)dichloronickel(II); Bis<2-(N,N-dimethylamino)aethyl>aether; lithium tert-butoxide In toluene at 160℃; for 20h; Inert atmosphere;	73%

: 107-81-3
2-bromopentane

: 124-38-9
carbon dioxide

: 123974-18-5
N-benzyl-2-phenyl-1-prop-2-enamine

: 3-benzyl-5-(2-methylpentyl)-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In dimethyl sulfoxide under 760.051 Torr; for 60h; Schlenk technique; Irradiation; Sealed tube;	71%

...Expand

: 107-81-3
2-bromopentane

: 2497-33-8
4-((4-methylphenyl)azo)phenol

: 1-(4-(pent-2-yloxy)phenyl)-2-(p-tolyl)diazene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 70℃; for 24h;	71%

: 107-81-3
2-bromopentane

: 27262-40-4
(S)-2',6'-pipecoloxylidide

: (2S)-N-(2,6-dimethylphenyl)-1-[1-methylbutyl]piperidine-2-carboxamide

Conditions

Conditions	Yield
Stage #1: (S)-2',6'-pipecoloxylidide With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 0.333333h; Stage #2: 2-bromopentane In N,N-dimethyl-formamide at 80℃; for 14h;	70%

: 4856-97-7
2-(Hydroxymethyl)benzimidazole

: 107-81-3
2-bromopentane

: (1-(pentan-2-yl)-1H-benzo[d]imidazole-2-yl)methanol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h;	68%

: 107-81-3
2-bromopentane

: 17082-12-1
trans-azobenzene

: (E)-1,2-bis(3-(s-pentan-2-yl)phenyl)diazene

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium carbonate; Trimethylacetic acid In 1,4-dioxane at 120℃; for 24h; Sealed tube; Inert atmosphere;	68%

2-Bromopentane Chemical Properties

Product Name: 2-Bromopentane (CAS NO.107-81-3)

Molecular Formula: C₅H₁₁Br
Molecular Weight: 151.04 g/mol
Boiling point: 118.3 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 20.6 °C
Density: 1.211 g/cm³
Acidity: Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
Water Solubility: practically insoluble
Index of Refraction: 1.44
Molar Refractivity: 32.9 cm³
Molar Volume: 124.6 cm³
Surface Tension: 25.6 dyne/cm
Enthalpy of Vaporization: 34.18 kJ/mol
Vapour Pressure: 20 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 2-Bromopentane (CAS NO.107-81-3):
IUPAC Name: 2-bromopentane
Canonical SMILES: CCCC(C)Br
InChI: InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey: LGAJYTCRJPCZRJ-UHFFFAOYSA-N

2-Bromopentane Uses

2-Bromopentane (CAS NO.107-81-3) is mainly used as an intermediate for drug synthesis.

2-Bromopentane Toxicity Data With Reference

1.	ihl-rat TCLo:90 mg/m³/4H/17W-I	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51.
2.	ihl-mus LC50:33 g/m³	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51.
3.	ihl-mus TCLo:90 mg/m³/4H/17W-I	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 25 (5)(1981),51.
4.	ipr-mus LD50:150 mg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

2-Bromopentane Consensus Reports

Reported in EPA TSCA Inventory.

2-Bromopentane Safety Profile

Safety Information of 2-Bromopentane (CAS NO.107-81-3):
Hazard Codes: F,Xi Irritant
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2343 3/PG 2
WGK Germany: 3
RTECS: RZ9800000
HazardClass: 3
PackingGroup: II

2-Bromopentane Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

2-Bromopentane Specification

2-Bromopentane , its CAS NO. is 107-81-3, the synonyms are 2-Pentyl bromide ; Pentane, 2-bromo- .

Product Name

2-Bromopentane

Synthetic route

2-Bromopentane Chemical Properties

2-Bromopentane Uses

2-Bromopentane Toxicity Data With Reference

2-Bromopentane Consensus Reports

2-Bromopentane Safety Profile

2-Bromopentane Standards and Recommendations

2-Bromopentane Specification

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