5-Chloro-2-nitrobenzotrifluoride
Properties
- Molecular formula
- C7H3ClF3NO2
- Molar mass
- 225.55 g/mol
- Exact mass
- 224.9804 Da
- Melting point
- 21–22 °C
- Boiling point
- 1.526 °C
- logP
- 3.27Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin12.2% of notifiers
- H315 Causes skin irritation93.9% of notifiers
- H319 Causes serious eye irritation95.9% of notifiers
- H332 Harmful if inhaled12.2% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 49 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
118-83-2SMILES
O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)FInChIKey
CFPIGEXZPWTNOR-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
- Toluene, 5-chloro-α,α,α-trifluoro-2-nitro-
- 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
- 4-Chloro-2-(trifluoromethyl)nitrobenzene
- 5-Chloro-2-nitro(trifluoromethyl)benzene
- 5-Chloro-2-nitro-1-(trifluoromethyl)benzene
- 5-Chloro-α,α,α-trifluoro-2-nitrotoluene
- 2-Nitro-5-chlorobenzotrifluoride
- 4-Nitro-3-trifluoromethyl-1-chlorobenzene
Work with 5-Chloro-2-nitrobenzotrifluoride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-965 % similar
5-Bromo-2-nitrobenzotrifluoride344-38-763 % similar
4-Nitro-3-(trifluoromethyl)aniline393-11-363 % similar
Tfm (piscicide)88-30-263 % similar
4,5-Dichloro-2-nitrobenzotrifluoride50594-31-562 % similar
4-Chloro-1,2-dinitrobenzene610-40-262 % similar
4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-860 % similar
4-Chloro-2-fluoro-1-nitrobenzene700-37-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-5
2-Chloro-4-nitrobenzotrifluoride151504-80-2
2-Chloro-6-trifluoromethylnicotinic acid280566-45-2
2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1
3-Chloro-5-nitrobenzotrifluoride401-93-4
3-Chloro-4-nitrobenzotrifluoride402-11-9
2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-3
2-Chloro-5-nitrobenzotrifluoride777-37-7