| Identification | More | [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 Properties | Back 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. | [Specific Heat Capacity]
Cp(liquid):204J/(g·K),at 25℃ | [Thermal Conductivity]
0.108 W/(m·K) at 25 ℃ | [Detection Methods]
GC | [BRN ]
1731290 | [Henry's Law Constant]
3.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Dielectric constant]
5.8（24℃） | [InChI]
1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3 | [InChIKey]
MNDIARAMWBIKFW-UHFFFAOYSA-N | [SMILES]
CCCCCCBr | [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 Answer | Back Directory | [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.
|
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H315-H319-H335 | [Precautionary statements ]
P210-P233-P240-P241-P303+P361+P353-P305+P351+P338 | [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 | [REACH Registrations]
Active | [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 |
| Hazard Information | Back 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 | [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.] |
|
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