2-Chloro-6-iodo-4-(trifluoromethyl)aniline
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Basic information
- CAS
1065102-88-6- Standard SMILES
Nc1c(Cl)cc(C(F)(F)F)cc1I- InChIKey
GCTGNIQJWWFHGZ-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3IN
- Average molar mass
- 321.46 g/mol
- Monoisotopic mass
- 320.90290947
Names & identifiers
- Preferred name
- 2-Chloro-6-iodo-4-(trifluoromethyl)aniline
- IUPAC
- 2-chloro-6-iodo-4-(trifluoromethyl)aniline
- English name
- 2-Chloro-6-iodo-4-(trifluoromethyl)aniline
- Molecular formula
- C7H4ClF3IN
- Molecular weight
- 321.47
Names & synonyms
2-chloro-6-iodo-4-(trifluoromethyl)aniline1065102-88-6MFCD204926122-chloro-6-iodo-4-(trifluoromethyl)benzenamine2-Chloro-6-iodo-4-trifluoromethyl-phenylamineSCHEMBL978300SCHEMBL30777281DTXSID801249936AKOS007930060SY2833222-Chloro-6-iodo-4-trifluoromethyl-anilineDB-112004
Show more names
CS-0440239H59750F765587Benzenamine, 2-chloro-6-iodo-4-(trifluoromethyl)-
Database identifiers
- CAS
1065102-88-6- PubChem CID
- 56587696
- DTXSID
DTXSID801249936
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 256.8 · 256.8±40.0 °C(Predicted)
- Density
- 2.018 · 2.018±0.06 g/cm3(Predicted)
- pka
- -1.24 · -1.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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