Sodium benzenesulfonate - CAS 515-42-4
Catalog: |
BB027487 |
Product Name: |
Sodium benzenesulfonate |
CAS: |
515-42-4 |
Synonyms: |
sodium;benzenesulfonate |
IUPAC Name: | sodium;benzenesulfonate |
Description: | Dialkyl Phthalate (Alkyl=heptyl, nonyl, undecyl) can be used as a plasticizer. |
Molecular Weight: | 180.16 |
Molecular Formula: | C6H5NaO3S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
InChI: | InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 |
InChI Key: | MZSDGDXXBZSFTG-UHFFFAOYSA-M |
Melting Point: | 450 °C |
Purity: | 90 % |
Density: | 1.124 g/cm3 |
Solubility: | Very sol in hot water; slightly sol in hot alcohol |
Appearance: | White crystals |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
LogP: | 1.67150 |
Stability: | Stable. Hygroscopic. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (91.11%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
31226285 | 20190901 | Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design | Chemico-biological interactions |
22539252 | 20120716 | Poly(N-isopropylacrylamide)-based microgels and their assemblies for organic-molecule removal from water | Chemphyschem : a European journal of chemical physics and physical chemistry |
22450122 | 20120101 | Virucidal effects of bleach activators, sodium alkyl acyloxybenzene sulfonate and acyloxybenzoic acid, against Feline calicivirus | Journal of oleo science |
22593710 | 20120101 | Synthesis of furo[3,2-b]pyrrole-5-carboxhydrazides and their Cu, Co and Ni complexes | TheScientificWorldJournal |
21262219 | 20110325 | (2S,4S)-4-Fluoro-1-{[(2-hydroxy-1,1-dimethylethyl)amino]acetyl}-pyrrolidine-2-carbonitrile monobenzenesulfonate (TS-021) is a selective and reversible dipeptidyl peptidase IV inhibitor | European journal of pharmacology |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.98570947 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.98570947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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