ChemicalBook Product Catalog Organic Chemistry Hydrocarbons and derivatives Hydrocarbon halides 1-Bromohexane

1-Bromohexane

Product Name1-Bromohexane
CAS111-25-1
MFC6H13Br
MW165.07
EINECS203-850-2
MOL File111-25-1.mol

Chemical Properties

Melting point	−85 °C(lit.)
Boiling point	154-158 °C(lit.)
Density	1.176 g/mL at 25 °C(lit.)
vapor density	5.7 (vs air)
vapor pressure	<10 mm Hg ( 20 °C)
refractive index	n20/D 1.448(lit.)
Flash point	135 °F
storage temp.	Store below +30°C.
solubility	<1g/l
form	Liquid
color	Clear
Water Solubility	Immiscible with water.
Thermal Conductivity	0.108 W/(m·K) at 25 ℃
BRN	1731290
Dielectric constant	5.8（24℃）
Stability	Stable. Incompatible with strong oxidizing agents, strong bases. Combustible.
InChI	1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey	MNDIARAMWBIKFW-UHFFFAOYSA-N
SMILES	CCCCCCBr
CAS DataBase Reference	111-25-1(CAS DataBase Reference)
NIST Chemistry Reference	Hexane, 1-bromo-(111-25-1)
EPA Substance Registry System	Hexane, 1-bromo- (111-25-1)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38-10
Safety Statements	26-36-16
RIDADR	UN 1993 3/PG 3
WGK Germany	2
RTECS	MO0925000
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29033036
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3
Toxicity	LD50 orally in Rabbit: > 2000 mg/kg

MSDS

Provider	Language
1-Bromohexane	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Chemical nature

1-Bromohexane is organobromine compound with formula Br(CH2)5CH3. It is a colorless liquid.

Synthesis and reactions

Most 1-bromoalkanes are prepared by free-radical addition of hydrogen bromide to the 1-alkene. These conditions lead to anti-Markovnikov addition, giving the 1-bromo derivative.
1-Bromohexane undergoes reactions expected of simple alkyl bromides. It can form Grignard reagents. It reacts with potassium fluoride to give the corresponding fluorocarbons.

Chemical Properties

1-Bromohexane is a colourless liquid organohalide. It is a solvent that is frequently used in grignard reactions. It is also used as Intermediate, for introduction of hexyl group.

Uses

1-Bromohexane is utilized in the preparation of pharmaceuticals and organic chemicals. It is involved in Grignard reactions as an alkylating agent and in the synthesis of bromo-cyclic compounds.

Application

1-Bromohexane is a very useful synthetic intermediate，it can be used to react with Mg to prepare Grignard reagents which play an important role in formation of carbon-carbon bond.

Synthesis Reference(s)

Chemistry Letters, 7, p. 833, 1978
Synthetic Communications, 6, p. 21, 1976 DOI: 10.1080/00397917608062128
Tetrahedron, 40, p. 641, 1984 DOI: 10.1016/S0040-4020(01)91092-0

Mechanism of action

1-Bromohexane is a nucleophilic reagent, which reacts with electrophiles (electron-rich molecules) to form a new bond.

Purification Methods

Shake the bromide with H2SO4, wash with water, dry (K2CO3) and fractionally distil. [Beilstein 1 IV 352.]

1-Bromohexane

Chemical Properties

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MSDS

Usage And Synthesis

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