111-85-3

Name 1-Chlorooctane
CAS 111-85-3
EINECS(EC#) 203-915-5
Molecular Formula C8H17Cl
MDL Number MFCD00001022
Molecular Weight 148.67
MOL File 111-85-3.mol

Chemical Properties

Appearance Liquid
Melting point  -61 °C (lit.)
Boiling point  183 °C (lit.)
density  0.875 g/mL at 25 °C(lit.)
vapor pressure  1 mm Hg ( 22.2 °C)
refractive index  n20/D 1.430(lit.)
Fp  136 °F
storage temp.  Sealed in dry,Room Temperature
solubility  0.02g/l
form  clear liquid
color  Colorless to Almost colorless
Water Solubility  0.02 g/L
Thermal Conductivity 0.127 W/(m·K) at 25 ℃
Usage Barchlor(R) 8S is used as chemical intermediate.
BRN  1697464
Henry's Law Constant 2.6×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 5.0499999999999998
InChI 1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey CNDHHGUSRIZDSL-UHFFFAOYSA-N
SMILES CCCCCCCCCl
LogP 3.79 at 20℃
CAS DataBase Reference 111-85-3(CAS DataBase Reference)
NIST Chemistry Reference Octane, 1-chloro-(111-85-3)
EPA Substance Registry System 111-85-3(EPA Substance)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Danger
Hazard statements  H304-H410
Precautionary statements  P273-P301+P310-P331-P391-P405-P501
Hazard Codes  N
Risk Statements 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 1993 3/PG 3
WGK Germany  2
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29031980
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Hazardous Substances Data 111-85-3(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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