1-Chlorohexane Structure

1-Chlorohexane

Chemical Properties

Melting point ?94 °C (lit.)
Boiling point 133-134 °C (lit.)
Density  0.879 g/mL at 25 °C (lit.)
vapor pressure  53 hPa (55 °C)
refractive index  n20/D 1.419(lit.)
Flash point 80 °F
storage temp.  Store below +30°C.
solubility  water: insoluble(lit.)
form  Liquid
color  Clear yellow
explosive limit 1.0-9.6%(V)
Water Solubility  water: insoluble(lit.)
Merck  14,2144
BRN  1731289
Henry's Law Constant 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993)
Dielectric constant 5.8200000000000003
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
InChI 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey MLRVZFYXUZQSRU-UHFFFAOYSA-N
SMILES CCCCCCCl
LogP 3.54 at 25℃
CAS DataBase Reference 544-10-5(CAS DataBase Reference)
FDA UNII R5L7I6O9NW
NIST Chemistry Reference Hexane, 1-chloro-(544-10-5)
EPA Substance Registry System 1-Chlorohexane (544-10-5)
UNSPSC Code 12352101
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H226
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Hazard Codes  Xi,N
Risk Statements  10-37-20/21-50/53
Safety Statements  23-24/25-16-61-60
RIDADR  UN 1993 3/PG 3
WGK Germany  1
Autoignition Temperature 225 °C
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29031980
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Toxicity LD50 orally in Rabbit: 7000 mg/kg
NFPA 704:
3
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