3-Bromo-5-nitrobenzotrifluoride
Properties
- Molecular formula
- C7H3BrF3NO2
- Molar mass
- 270.01 g/mol
- Exact mass
- 268.9299 Da
- logP
- 3.38Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled11.1% of notifiers
- H302 Harmful if swallowed77.8% of notifiers
- H312 Harmful in contact with skin77.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled77.8% of notifiers
- H335 May cause respiratory irritation44.4% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
630125-49-4SMILES
C1=C(C=C(C=C1[N+](=O)[O-])Br)C(F)(F)FInChIKey
YHTVYRKVFAFVLP-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-Bromo-3-nitro-5-(trifluoromethyl)benzene
Work with 3-Bromo-5-nitrobenzotrifluoride
Similar compounds
1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-674 % similar
Alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene401-99-074 % similar
1-Bromo-3,5-dinitrobenzene18242-39-265 % similar
3,5-Dibromonitro benzene6311-60-065 % similar
3-Hydroxy-5-nitrobenzotrifluoride349-57-562 % similar
3-Chloro-5-nitrobenzotrifluoride401-93-462 % similar
3-Nitro-5-(trifluoromethyl)aniline401-94-562 % similar
1-Bromo-3-fluoro-5-nitrobenzene7087-65-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.