Basic information
- CAS
243139-67-5- Standard SMILES
Cc1c(C(F)(F)F)cc(N)cc1C(F)(F)F- InChIKey
JAWFVMIGHVNJHH-UHFFFAOYSA-N- Molecular formula
- C9H7F6N
- Average molar mass
- 243.15 g/mol
- Monoisotopic mass
- 243.0482682
Names & identifiers
- Preferred name
- 4-Methyl-3,5-bis(trifluoromethyl)aniline
- IUPAC
- 4-methyl-3,5-bis(trifluoromethyl)aniline
- English name
- 3,5-Bis(trifluoromethyl)-4-methylaniline
- Molecular formula
- C9H7F6N
- Molecular weight
- 243.15
Names & synonyms
4-methyl-3,5-bis(trifluoromethyl)aniline243139-67-53,5-Bis(trifluoromethyl)-4-methylanilineSCHEMBL15914665DTXSID70371173JAWFVMIGHVNJHH-UHFFFAOYSA-NMFCD01631701SBB099694AKOS022171812AS-501913,5-bis(trifluoromethyl)-4-methylphenylamineO11262
Show more names
4-Amino-2,6-bis(trifluoromethyl)tolueneBenzenamine, 4-methyl-3,5-bis(trifluoromethyl)-
Database identifiers
- CAS
243139-67-5- PubChem CID
- 2736161
- DTXSID
DTXSID70371173
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 190.7 · 190.7±40.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.58 · 2.58±0.10(Predicted)
- Hazard Codes
- Xn
- Hazard Note
- Harmful
- HS Code
- 2921420090 · 2921420090
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
- 2921420090
- hazard_code
- Xn
- hazard_note
- Harmful
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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