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4-Chloro-6-nitro-m-cresol Structure

4-Chloro-6-nitro-m-cresol

Chemical Properties

Melting point 132-134 °C(lit.)
Boiling point 276.7±35.0 °C(Predicted)
Density  1.4219 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  RT, stored under nitrogen
pka 6.51±0.27(Predicted)
form  powder to crystal
color  Light yellow to Amber to Dark green
Henry's Law Constant 3.6×10-1 mol/(m3Pa) at 25℃, Schwarzenbach et al. (1988)
InChI 1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
InChIKey JBMGJOKJUYGIJH-UHFFFAOYSA-N
SMILES Cc1cc(O)c(cc1Cl)[N+]([O-])=O
CAS DataBase Reference 7147-89-9(CAS DataBase Reference)
EPA Substance Registry System Phenol, 4-chloro-5-methyl-2-nitro- (7147-89-9)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29089990
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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