Sodium 3-sulfobenzoate - CAS 17625-03-5
Catalog: |
BB013205 |
Product Name: |
Sodium 3-sulfobenzoate |
CAS: |
17625-03-5 |
Synonyms: |
sodium;3-sulfobenzoate |
IUPAC Name: | sodium;3-sulfobenzoate |
Description: | Sodium 3-sulfobenzoate (CAS# 17625-03-5) is used as a reagent in the synthesis of imidazolium poly(butylene terephthalate) ionomers which can exhibit long-term antimicrobial activity even after six days. |
Molecular Weight: | 224.17 |
Molecular Formula: | C7H5NaO5S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+] |
InChI: | InChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1 |
InChI Key: | KQHKITXZJDOIOD-UHFFFAOYSA-M |
Melting Point: | >300 ℃ |
Purity: | 95 % |
Appearance: | White powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00066378 |
LogP: | 1.36970 |
GHS Hazard Statement: | H315 (90.2%): 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 |
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Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.97553871 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.97553871 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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