Basic information
- CAS
17095-18-0- Standard SMILES
Nc1ccccc1S(=O)(=O)C(F)(F)F- InChIKey
IVCPCVYYLSLUSY-UHFFFAOYSA-N- Molecular formula
- C7H6F3NO2S
- Average molar mass
- 225.19 g/mol
- Monoisotopic mass
- 225.00713409
Names & identifiers
- Preferred name
- 2-Trifluoromethanesulfonylaniline
- IUPAC
- 2-(trifluoromethylsulfonyl)aniline
- English name
- 2-trifluoromethanesulfonylaniline
- Molecular formula
- C7H6F3NO2S
- Molecular weight
- 225.19
Names & synonyms
2-trifluoromethanesulfonylaniline17095-18-0RefChem:483827817-993-92-[(Trifluoromethyl)sulphonyl]aniline2-(trifluoromethylsulfonyl)anilineMFCD121742362-(Trifluoromethylsulfonyl)benzylamineSCHEMBL999350SCHEMBL29800998SAA095182-[(trifluoromethyl)sulfonyl]aniline
Show more names
2-(trifluoromethylsulfonyl)benzenamine
AKOS008132070Benzenamine, 2-[(trifluoromethyl)sulfonyl]-CS-0252125EN300-59057G20879Z425349436
Database identifiers
- CAS
17095-18-0- PubChem CID
- 18974366
- EC Number
- 817-993-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 42 · 42-44 °C
- Boiling point
- 311.8 · 311.8±42.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- -2.87 · -2.87±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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