2,4,6-Trichloroanisole Structure

2,4,6-Trichloroanisole

Chemical Properties

Melting point 60-62 °C (lit.)
Boiling point 132 °C/28 mmHg (lit.)
Density  1.6400
refractive index  1.5510 (estimate)
Flash point 11 °C
storage temp.  room temp
solubility  benzene: soluble(lit.)
form  powder to crystal
color  White to Almost white
Water Solubility  13.2mg/L(25 ºC)
Merck  13,9702
BRN  2329219
Henry's Law Constant 2.3×10-2 mol/(m3Pa) at 25℃, Wu et al. (2022)
Stability Stable. Incompatible with strong oxidizing agents.
InChI 1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey WCVOGSZTONGSQY-UHFFFAOYSA-N
SMILES COc1c(Cl)cc(Cl)cc1Cl
LogP 4.110
CAS DataBase Reference 87-40-1(CAS DataBase Reference)
FDA UNII 31O3X41254
EPA Substance Registry System Benzene, 1,3,5-trichloro-2-methoxy- (87-40-1)
UNSPSC Code 77101502
NACRES NA.24
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H319-H413
Precautionary statements P264-P270-P273-P280-P301+P312-P305+P351+P338
Hazard Codes  Xn,T,F
Risk Statements  22-36-39/23/24/25-23/24/25-11
Safety Statements  26-45-36/37-16-7
RIDADR  UN 1230 3/PG 2
WGK Germany  3
HS Code  2909.30.6000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
NFPA 704:
0
2 0

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