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Basic Information
CAS No.: 626-87-9
Name: 1,4-Dibromopentane
Article Data: 16
Molecular Structure:
Molecular Structure of 626-87-9 (1,4-Dibromopentane)
Formula: C5H10 Br2
Molecular Weight: 229.942
Synonyms: (RS)-1,4-Dibromopentane;1,4-Dibromopentane; 2,5-Dibromopentane; NSC 8753
EINECS: 210-967-2
Density: 1.687
Melting Point: ?34.4 °C(lit.)
Boiling Point: 98-99 °C25 mm Hg(lit.)
Flash Point: 110 ºC
Solubility: Insoluble in water.
Appearance: clear, colorless to pale yellow liquid.
Hazard Symbols:
Risk Codes: R22;R36/38   
Safety: 26-36-37/39
PSA: 0.00000
LogP: 2.94490
Synthetic route
96-47-9

2-methyltetrahydrofuran

A

626-87-9

1,4-dibromopentane

B

C5H12BrO3P

Conditions
ConditionsYield
With hydrogen bromide; phosphorus tribromide at 30℃; for 0.666667h;A 34%
B 43%
96-47-9

2-methyltetrahydrofuran

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With sulfuric acid; hydrogen bromide
With aluminum tri-bromide
With phosphorus tribromide
With hydrogen bromide
626-95-9

1,4-Pentanediol

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With hydrogen bromide
With hydrogen bromide; calcium chloride
With hydrogen bromide Heating;
821-09-0

n-Pent-4-enyl alcohol

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With hydrogen bromide at 100 - 110℃;
598-61-8

methyl-cyclobutane

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With bromine im direkten Sonnenlicht;
534-22-5

2-methylfuran

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
(i) H2, (ii) aq. HBr; Multistep reaction;
1191-96-4

ethylcyclopropane

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With bromine In dichloromethane
18423-18-2

5-methoxy-2-pentanol

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With hydrogen bromide
96-47-9

2-methyltetrahydrofuran

10035-10-6, 12258-64-9

hydrogen bromide

626-87-9

1,4-dibromopentane

γ-pentylene oxide

γ-pentylene oxide

626-87-9

1,4-dibromopentane

Conditions
ConditionsYield
With hydrogen bromide at 100℃;
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Chemistry

Molecular Structure of 1,4-Dibromopentane (CAS No.626-87-9):

Molecular Formula: C5H10Br2
Molecular Weight: 229.9409
CAS No: 626-87-9
XLogP3-AA: 2.9
Exact Mass: 229.912879
MonoIsotopic Mass: 227.914926
Topological Polar Surface Area: 0
Heavy Atom Count: 7
Formal Charge: 0
Complexity: 37.1
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: Å2
Index of Refraction: 1.501
Molar Refractivity: 40.63 cm3
Molar Volume: 137.8 cm3
Surface Tension: 33.9 dyne/cm
Density: 1.668 g/cm3
Flash Point: 73.1 °C
Enthalpy of Vaporization: 41.71 kJ/mol
Boiling Point: 198.7 °C at 760 mmHg
Vapour Pressure: 0.502 mmHg at 25°C
Chemical Properties clear colorless to light yellow-brown liquid
IUPAC Name: 1,4-Dibromopentane
Canonical SMILES: CC(CCCBr)Br
InChI: InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
InChIKey: CNBFRBXEGGRSPL-UHFFFAOYSA-N
Product Categories: Alkyl;Halogenated Hydrocarbons;Organic Building Blocks

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-36/38-22
R36/37/38:Irritating to eyes, respiratory system and skin. 
R36/38:Irritating to eyes and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3