3-Chloroanisole Structure

3-Chloroanisole

Chemical Properties

Melting point 25°C
Boiling point 193 °C (lit.)
Density  1.164 g/mL at 25 °C (lit.)
refractive index  n20/D 1.536(lit.)
Flash point 164 °F
storage temp.  Sealed in dry,Room Temperature
solubility  235mg/l
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 1.164
Water Solubility  15g/L(25 ºC)
BRN  2041497
Henry's Law Constant 4.5×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
InChI 1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey YUKILTJWFRTXGB-UHFFFAOYSA-N
SMILES COc1cccc(Cl)c1
CAS DataBase Reference 2845-89-8(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-3-methoxy-(2845-89-8)
EPA Substance Registry System Benzene, 1-chloro-3-methoxy- (2845-89-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H227
Precautionary statements P210-P280-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Hazard Codes  Xi
Safety Statements  23-24/25
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29093090
Storage Class 10 - Combustible liquids
NFPA 704:
2
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