Alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene
Properties
- Molecular formula
- C7H3F3N2O4
- Molar mass
- 236.11 g/mol
- Exact mass
- 236.0045 Da
- Melting point
- 49–50 °C
- Boiling point
- 125–127 °C (at 9 Torr)
- logP
- 2.52Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
401-99-0SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1InChIKey
QZADIXWDDVQVKM-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 3,5-Dinitrobenzotrifluoride
- Benzene, 1,3-dinitro-5-(trifluoromethyl)-
- Toluene, α,α,α-trifluoro-3,5-dinitro-
- 1,3-Dinitro-5-(trifluoromethyl)benzene
- α,α,α-Trifluoro-3,5-dinitrotoluene
- 3,5-Dinitro-α,α,α-trifluorotoluene
- 3,5-Dinitro-1-(trifluoromethyl)benzene
- 1-Trifluoromethyl-3,5-dinitrobenzene
Work with Alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene
Similar compounds
1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-692 % similar
3-Hydroxy-5-nitrobenzotrifluoride349-57-574 % similar
3-Chloro-5-nitrobenzotrifluoride401-93-474 % similar
3-Nitro-5-(trifluoromethyl)aniline401-94-574 % similar
3-Bromo-5-nitrobenzotrifluoride630125-49-474 % similar
5-Nitrobenzotrifluoride98-46-468 % similar
3-Methoxy-5-nitrobenzotrifluoride328-79-068 % similar
3-Nitro-5-(trifluoromethyl)benzoic acid328-80-366 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.