Basic information
- CAS
252561-92-5- Standard SMILES
CS(=O)(=O)c1ccc(N)cc1C(F)(F)F- InChIKey
MDHRVGGGCCSPMR-UHFFFAOYSA-N- Molecular formula
- C8H8F3NO2S
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.02278416
Names & identifiers
- Preferred name
- 4-(Methylsulfonyl)-3-(trifluoromethyl)aniline
- IUPAC
- 4-methylsulfonyl-3-(trifluoromethyl)aniline
- English name
- 4-(Methylsulphonyl)-3-(trifluoromethyl)aniline, 4-Amino-2-(trifluoromethyl)phenyl methyl sulphone
- Molecular formula
- C8H8F3NO2S
- Molecular weight
- 239.21
Names & synonyms
252561-92-54-(Methylsulfonyl)-3-(trifluoromethyl)aniline4-(Methylsulphonyl)-3-(trifluoromethyl)anilineMFCD128071914-methylsulfonyl-3-(trifluoromethyl)aniline4-(Methylsulfonyl)-3-(trifluoromethyl)benzenamine5-Amino-2-(methylsulphonyl)benzotrifluoride4-methanesulfonyl-3-(trifluoromethyl)anilineSCHEMBL4639494DTXSID101235249SBB099076AKOS010149230
Show more names
Benzenamine, 4-(methylsulfonyl)-3-(trifluoromethyl)-4-(Methylsulphonyl)-3-(trifluoromethyl)aniline, 4-Amino-2-(trifluoromethyl)phenyl methyl sulphone
PS-7600SY030788DB-379955CS-02079724-(Methanesulfonyl)-3-(trifluoromethyl)anilineF830254-(methylsulfonyl)-3-(trifluoromethyl)phenylamineF636504
Database identifiers
- CAS
252561-92-5- PubChem CID
- 22316682
- DTXSID
DTXSID101235249
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- form
- powder
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2921430090 · 2921430090
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
- 2921430090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers9 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海太氟医药科技有限公司021-58111238 18930958102
杭州杰恒化工有限公司0571-87396432 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
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