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4-(Trifluoromethylsulfonyl)aniline - 95%, high purity , CAS No.473-27-8
Basic Description
Synonyms | 4-(trifluoromethylsulfonyl)benzenamine | Noretisterona | DTXSID6040747 | 4-[(Trifluoromethyl)sulfonyl]phenylamine | 4-[(Trifluoromethyl)sulphonyl]aniline | F0345-0177 | 4-(Trifluoromethylsulfonyl)aniline, 95% | A827185 | AKOS001288399 | D-CS | IDI1_019422 |
Specifications & Purity | ≥95% |
Storage Temp | Store at 2-8°C,Protected from light |
Shipped In | Wet ice |
Product Description | Product Describtion:
4-(Trifluoromethylsulfonyl)aniline, also known as p-(trifluoromethylsulfonyl)aniline, is an aniline derivative.
Product Application:
4-(Trifluoromethylsulfonyl)aniline may be used in the preparation of 1-azido-4(trifluoromethanesufonyl)benzene. |
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Names and Identifiers
Pubchem Sid | 504757065 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757065 |
IUPAC Name | 4-(trifluoromethylsulfonyl)aniline |
INCHI | InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2 |
InChi Key | GNVFCXUZQGCXPB-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
Isomeric SMILES | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
WGK Germany | 3 |
PubChem CID | 136315 |
Molecular Weight | 225.19 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | n20D 1.50 (Predicted) |
Boil Point(°C) | ~317.8° C at 760 mmHg (Predicted) |
Melt Point(°C) | 96° C (lit.) |
Molecular Weight | 225.190 g/mol |
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XLogP3 | 2.000 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 1 |
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Exact Mass | 225.007 Da |
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Monoisotopic Mass | 225.007 Da |
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Topological Polar Surface Area | 68.500 Ų |
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Heavy Atom Count | 14 |
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Formal Charge | 0 |
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Complexity | 285.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 3 |
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