111-25-1

Name 1-Bromohexane
CAS 111-25-1
EINECS(EC#) 203-850-2
Molecular Formula C6H13Br
MDL Number MFCD00000271
Molecular Weight 165.07
MOL File 111-25-1.mol

Chemical Properties

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)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
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

Material Safety Data Sheet(MSDS)

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