o-Toluenesulfonamide - CAS 88-19-7
Catalog: |
BB038780 |
Product Name: |
o-Toluenesulfonamide |
CAS: |
88-19-7 |
Synonyms: |
2-methylbenzenesulfonamide |
IUPAC Name: | 2-methylbenzenesulfonamide |
Description: | o-Toluenesulfonamide (CAS# 88-19-7) is a useful research chemical compound. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC1=CC=CC=C1S(=O)(=O)N |
InChI: | InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) |
InChI Key: | YCMLQMDWSXFTIF-UHFFFAOYSA-N |
Boiling Point: | 143 °C (10 torr) |
Melting Point: | 156-158 °C |
Flash Point: | 53.5°C |
Purity: | 95 % |
Density: | 1.271 g/cm3 |
Appearance: | White to off-white crystalline powder |
Storage: | Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage. |
MDL: | MFCD00007934 |
LogP: | 2.42350 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.00006 [mmHg] |
GHS Hazard Statement: | H302 (48.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P264, P270, P280, P281, P301+P312, P305+P351+P338, P308+P313, P330, P337+P313, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127375-A1 | Hyaluronic acid derivatives | 20191220 |
US-2021179846-A1 | Powder Composition For Three-Dimensional Printing Containing A Polyoxymethylene Polymer | 20191217 |
WO-2021127102-A1 | Feed material for three-dimensional printing containing a polyoxymethylene polymer | 20191217 |
WO-2021119523-A1 | Use of atr inhibitors in combination with parp inhibitors | 20191211 |
WO-2021119249-A1 | Cyclophilin d inhibitors and uses thereof | 20191210 |
PMID | Publication Date | Title | Journal |
22250944 | 20120227 | Ambient ionization-accurate mass spectrometry (AMI-AMS) for the identification of nonvisible set-off in food-contact materials | Journal of agricultural and food chemistry |
22699123 | 20120101 | Formalehyde in personal care products | Skin pharmacology and physiology |
22199961 | 20111201 | N-(3-Chloro-benzo-yl)-2-methyl-benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22091081 | 20110801 | 2,2-Dimethyl-N-(2-methyl-phenyl-sulfon-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
21754893 | 20110601 | 21-(4-Methyl-phenyl-sulfon-yl)-4,7,13,16-tetra-oxa-1,10,21-triaza-bicyclo-[8.8.5]tricosane-19,23-dione: an N-tosyl-ated macrobicyclic dilactam | Acta crystallographica. Section E, Structure reports online |
Complexity: | 217 |
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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