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4-Hydroxy-3-nitrobenzotrifluoride Structure

4-Hydroxy-3-nitrobenzotrifluoride

Chemical Properties

Boiling point 92-94 °C12 mm Hg(lit.)
Density  1.473 g/mL at 25 °C(lit.)
refractive index  n20/D 1.504(lit.)
Flash point 203 °F
storage temp.  Inert atmosphere,Room Temperature
form  Liquid
pka 5.53±0.14(Predicted)
color  Yellow to orange
BRN  2215510
InChI 1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F
CAS DataBase Reference 400-99-7(CAS DataBase Reference)
EPA Substance Registry System Phenol, 2-nitro-4-(trifluoromethyl)- (400-99-7)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39-36
WGK Germany  3
RTECS  GP2984950
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29089990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity LD50 ipr-mus: 800 mg/kg JPMSAE 57,1763,68

MSDS

Usage And Synthesis

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