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3-Nitrobenzotrifluoride Structure

3-Nitrobenzotrifluoride

Chemical Properties

Melting point -5 °C
Boiling point 200-205 °C(lit.)
Density  1.436 g/mL at 25 °C(lit.)
refractive index  n20/D 1.472(lit.)
Flash point 190 °F
form  clear liquid
color  Colorless to Yellow to Green
Water Solubility  0.4 g/L (20 ºC)
BRN  2051362
Exposure limits ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES C1([N+]([O-])=O)=CC=CC(C(F)(F)F)=C1
CAS DataBase Reference 98-46-4(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-nitro-3-(trifluoromethyl)-(98-46-4)
EPA Substance Registry System 3-Nitrobenzotrifluoride (98-46-4)

Safety Information

Hazard Codes  T+,T,Xi
Risk Statements  22-26-36/37/38-52/53-21/22
Safety Statements  26-28-36/37-45-61-36/37/39-28A
RIDADR  UN 2306 6.1/PG 2
WGK Germany  2
RTECS  XT3500000
Hazard Note  Highly Toxic/Irritant
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29049090
Hazardous Substances Data 98-46-4(Hazardous Substances Data)

MSDS

Usage And Synthesis

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