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2-Bromopentane

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Name

2-Bromopentane

EINECS 203-521-3
CAS No. 107-81-3 Density 1.211 g/cm3
PSA 0.00000 LogP 2.56990
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 Molecular Structure of 107-81-3 (2-Bromopentane) Hazard Symbols FlammableF,IrritantXi
Synonyms

2-Pentyl bromide;BRN 1718829;NSC7896;Pentane, 2-bromo-;

Article Data 63

2-Bromopentane Synthetic route

109-66-0

pentane

A

107-81-3

2-bromopentane

B

1809-10-5

3-bromopentane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogen bromide
With phosphorus tribromide
584-02-1

2-pentanol

A

107-81-3

2-bromopentane

B

1809-10-5

3-bromopentane

Conditions
ConditionsYield
With hydrogen bromide
With phosphorus tribromide
109-67-1

1-penten

107-81-3

2-bromopentane

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen bromide at 25℃; optically inactive 2-bromo-pentane;
3813-69-2

2-pentyl tosylate

107-81-3

2-bromopentane

Conditions
ConditionsYield
With sodium bromide; diethylene glycol
107-82-4

i-pentyl bromide

107-81-3

2-bromopentane

Conditions
ConditionsYield
at 230℃;

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: FFlammable,XiIrritant
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- .

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