4-(Trifluoromethylsulfonyl)aniline - CAS 473-27-8
Catalog: |
BB026259 |
Product Name: |
4-(Trifluoromethylsulfonyl)aniline |
CAS: |
473-27-8 |
Synonyms: |
4-(trifluoromethylsulfonyl)aniline |
IUPAC Name: | 4-(trifluoromethylsulfonyl)aniline |
Description: | 4-(Trifluoromethylsulfonyl)aniline (CAS# 473-27-8) is a useful research chemical. |
Molecular Weight: | 225.19 |
Molecular Formula: | C7H6F3NO2S |
Canonical SMILES: | C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F |
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 |
Boiling Point: | 317.8 °C at 760 mmHg |
Melting Point: | 96 °C (lit.) |
Purity: | 95 % |
Density: | 1.502 g/cm3 |
MDL: | MFCD00182685 |
LogP: | 3.22430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10172856-B2 | 2,4-diaminopyrimidine derivatives as histamine H4 modulators | 20170406 |
US-2018289706-A1 | 2,4-diaminopyrimidine derivatives as histamine h4 modulators | 20170406 |
WO-2018187652-A1 | 2,4-diaminopyrimidine derivatives as histamine h4 modulators | 20170406 |
JP-2018020989-A | Urea compounds | 20160805 |
EP-3524600-A1 | Processes and intermediates for the preparation of novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds | 20160215 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.00713409 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.00713409 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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