5-Nitrobenzotrifluoride
CAS Registry Number®
98-46-4
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CAS Name
5-NitrobenzotrifluorideMolecular Formula
C7H4F3NO2Molecular Mass
191.11Cite this Page
5-Nitrobenzotrifluoride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=98-46-4 (retrieved ) (CAS RN: 98-46-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
203 °CMelting Point (2)
-2.4 °CDensity (1)
1.437 g/cm³ @ Temp: 15.5 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey
InChIKey=WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES
C(F)(F)(F)C1=CC(N(=O)=O)=CC=C1
Canonical SMILES
O=N(=O)C1=CC=CC(=C1)C(F)(F)F
Other Names for this Substance
- Benzene, 1-nitro-3-(trifluoromethyl)-
- Toluene, α,α,α-trifluoro-m-nitro-
- 1-Nitro-3-(trifluoromethyl)benzene
- m-(Trifluoromethyl)nitrobenzene
- α,α,α-Trifluoro-m-nitrotoluene