p-Toluenesulfonamide - CAS 70-55-3
Catalog: |
BB034176 |
Product Name: |
p-Toluenesulfonamide |
CAS: |
70-55-3 |
Synonyms: |
4-methylbenzenesulfonamide |
IUPAC Name: | 4-methylbenzenesulfonamide |
Description: | p-Toluenesulfonamide (CAS# 70-55-3) is a useful research chemical compound. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N |
InChI: | InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) |
InChI Key: | LMYRWZFENFIFIT-UHFFFAOYSA-N |
Boiling Point: | 221 °C (10 mmHg) |
Melting Point: | 136-140°C |
Flash Point: | 202°C |
Density: | 1.271 g/cm3 |
Solubility: | water, 3160 mg/L @ 25 °C (exp) |
Appearance: | White crystalline powder |
Decomposition: | Hazardous decomposition products formed under fire conditions - carbon oxides, Nitrogen oxides (nox), Sulfur oxides |
MDL: | MFCD00011692 |
LogP: | 2.42350 |
Refractive Index: | 1.564 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.000096 [mmHg] |
GHS Hazard Statement: | H315 (14.68%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23340394 | 20130101 | North American Contact Dermatitis Group patch test results for 2007-2008 | Dermatitis : contact, atopic, occupational, drug |
22981335 | 20121015 | Pyrrolo[2,3-b]quinoxalines as inhibitors of firefly luciferase: their Cu-mediated synthesis and evaluation as false positives in a reporter gene assay | Bioorganic & medicinal chemistry letters |
23009577 | 20120925 | Chloramine-induced anaphylaxis while showering: a case report | Journal of medical case reports |
23044584 | 20120901 | Results of patch-tests from Santa Casa de Belo Horizonte Dermatology Clinic, Belo Horizonte, Brazil, from 2003 to 2010 | Anais brasileiros de dermatologia |
22672002 | 20120817 | C-H bond functionalization via hydride transfer: formation of α-arylated piperidines and 1,2,3,4-tetrahydroisoquinolines via stereoselective intramolecular amination of benzylic C-H bonds | The Journal of organic chemistry |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03539970 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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