ChemicalBook--->CAS DataBase List--->111-25-1

111-25-1

111-25-1 Structure

111-25-1 Structure
IdentificationMore
[Name]

1-Bromohexane
[CAS]

111-25-1
[Synonyms]

1-BROMOHEXANE
Bromohexane
HEXYL BROMIDE
N-BROMOHEXANE
N-HEXYL BROMIDE
1-bromo-hexan
1-Hexyl bromide
1-hexylbromide
hexane,1-bromo-
Hexylbromid
hexylbromide(1-bromohexane)
Bromohexane,98%
1-bromo-hexylane
N-Hexyl romide
1-Bromohexane99+%
1-Bromhexan
1-BROMOHEXANE pure
[EINECS(EC#)]

203-850-2
[Molecular Formula]

C6H13Br
[MDL Number]

MFCD00000271
[Molecular Weight]

165.07
[MOL File]

111-25-1.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[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.)
[Fp ]

135 °F
[storage temp. ]

Store below +30°C.
[solubility ]

<1g/l
[form ]

Liquid
[color ]

Clear
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases. Combustible.
[Water Solubility ]

Immiscible with water.
[Detection Methods]

GC
[BRN ]

1731290
[Dielectric constant]

5.8(24℃)
[InChIKey]

MNDIARAMWBIKFW-UHFFFAOYSA-N
[Uses]

Intermediate, for introduction of hexyl group.
[CAS DataBase Reference]

111-25-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexane, 1-bromo-(111-25-1)
[EPA Substance Registry System]

111-25-1(EPA Substance)
Questions And AnswerBack Directory
[Chemical nature]

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

Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

2
[RTECS ]

MO0925000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29033036
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Chlorohexane
[Preparation Products]

2-HEXYLDECANOIC ACID-->1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE 96-->Sodium 1-hexanesulfonate monohydrate-->TRIHEXYLPHOSPHINE-->Sodium 1-hexanesulfonate-->2-(2-HEXYLOXYETHOXY)ETHANOL-->1-(4-Bromophenyl)hexane-->(N-HEXYL)TRIMETHYLAMMONIUM BROMIDE-->Benzenethiol, 4-(hexyloxy)--->2,5-Dibromo-3-hexylthiophene-->7-TRIDECANOL-->4,4-Dihexyl-4H-cyclopenta[1,2-b:5,4-b']dithiophene-->3-Hexylthiophene-->3-bromohexane-->3-(hexyloxy)benzaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Bromohexane(111-25-1).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Application]

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.
[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
[Purification Methods]

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

1-Bromohexane(111-25-1)MS
1-Bromohexane(111-25-1)1HNMR
1-Bromohexane(111-25-1)13CNMR
1-Bromohexane(111-25-1)IR1
1-Bromohexane(111-25-1)IR2
1-Bromohexane(111-25-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromohexane, 99+%(111-25-1)
[Alfa Aesar]

1-Bromohexane, 99%(111-25-1)
[Sigma Aldrich]

111-25-1(sigmaaldrich)
[TCI AMERICA]

1-Bromohexane,>98.0%(GC)(111-25-1)
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