4-Chloro-2-nitro-1-(trifluoromethyl)benzene
Basic information
- CAS
25889-38-7- Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1C(F)(F)F- InChIKey
DDNRGAUZMIFKQS-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3NO2
- Average molar mass
- 225.55 g/mol
- Monoisotopic mass
- 224.9804405
Names & identifiers
- Preferred name
- 4-Chloro-2-nitro-1-(trifluoromethyl)benzene
- IUPAC
- 4-chloro-2-nitro-1-(trifluoromethyl)benzene
- English name
- 4-chloro-2-nitro-1-(trifluoromethyl)benzene
- Molecular formula
- C7H3ClF3NO2
- Molecular weight
- 225.55
Names & synonyms
4-Chloro-2-nitro-1-(trifluoromethyl)benzene25889-38-7EINECS 247-315-1DTXSID40180537RefChem:98391DTXCID80103028247-315-14-Chloro-2-nitrobenzotrifluorideMFCD000476935-Chloro-2-(trifluoromethyl)nitrobenzeneBenzene, 4-chloro-2-nitro-1-(trifluoromethyl)-3-Chloro-6-trifluoromethyl-1-nitrobenzene
Show more names
4-Chloro-1-(trifluoromethyl)-2-nitrobenzeneSCHEMBL2653845SCHEMBL86648095-chloro-2-trifluoromethylnitrobenzeneAKOS005258078AS-36828SY198342CS-0157101
Database identifiers
- CAS
25889-38-7- PubChem CID
- 117653
- DTXSID
DTXSID40180537- EC Number
- 247-315-1
- Nikkaji
- J141.351A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 235 · 235.0±40.0 °C(Predicted)
- Density
- 1.537 · 1.537±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 b-P270-P280-P301+P312-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362+P364-P403-P501c · P264b-P270-P280-P301+P312-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362+P364-P403-P501c
- HazardClass
- IRRITANT
- HS Code
- 2904990090 · 2904990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264b-P270-P280-P301+P312-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362+P364-P403-P501c
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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