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1-Bromooctane Structure

1-Bromooctane

  • Product Name1-Bromooctane
  • CAS111-83-1
  • CBNumberCB5117046
  • MFC8H17Br
  • MW193.12
  • EINECS203-912-9
  • MDL NumberMFCD00000276
  • MOL File111-83-1.mol

Chemical Properties

Melting point: -55 °C
Boiling point: 201 °C
Density  1.11
vapor density  6.7 (vs air)
vapor pressure  0.34 mm Hg ( 25 °C)
refractive index  1.45
Flash point: 92 °C
storage temp.  Store below +30°C.
solubility  insoluble
form  clear liquid
color  Colorless to Almost colorless
Water Solubility  insoluble
Merck  14,6764
BRN  1733136
Henry's Law Constant 1.7×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 5.0(Ambient)
InChI 1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey VMKOFRJSULQZRM-UHFFFAOYSA-N
SMILES CCCCCCCCBr
CAS DataBase Reference 111-83-1(CAS DataBase Reference)
NIST Chemistry Reference Octane, 1-bromo-(111-83-1)
EPA Substance Registry System Octane, 1-bromo- (111-83-1)

Safety

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-P501
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  N
Risk Statements  36/37/38-50/53
Safety Statements  23-24/25-61-60
RIDADR  UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany  3
RTECS  RG8575000
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29033036
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Toxicity LD50 orally in rats: 4.49 ml/kg (Smyth)
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
2
0 0

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