6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)-one - CAS 5031-74-3
Catalog: |
BB027003 |
Product Name: |
6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)-one |
CAS: |
5031-74-3 |
Synonyms: |
6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one |
Description: | 6-[(2-Hydroxyethyl)sulfonyl]benzoxazol-2-(3H)-one (CAS# 5031-74-3 ) is a useful research chemical. |
Molecular Weight: | 243.24 |
Molecular Formula: | C9H9NO5S |
Canonical SMILES: | C1=CC2=C(C=C1S(=O)(=O)CCO)OC(=O)N2 |
InChI: | InChI=1S/C9H9NO5S/c11-3-4-16(13,14)6-1-2-7-8(5-6)15-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12) |
InChI Key: | NLKFSULXKPSHMS-UHFFFAOYSA-N |
Melting Point: | 207-211 °C |
Purity: | 95 % |
Density: | 1.54 g/cm3 |
Appearance: | Beige to grey powder |
MDL: | MFCD03094038 |
LogP: | 0.96790 |
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 |
EP-0614947-A1 | Water-soluble copper complexes of monoazo naphtol-carborylic acids, process for their preparation and their use as dyestuffs | 19930312 |
CH-639120-A5 | Water-soluble dyes, method for the production thereof. | 19771102 |
US-4485041-A | Water-soluble metal free or copper triazino-bis-[hydroxy-naphthylamino]-disazo dyestuffs containing fiber reactive groups, and a process for dyeing or printing cellulose fibers | 19771102 |
US-4191703-A | Process for the manufacture of sulfuric acid semi-ester compounds | 19760803 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.02014356 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.02014356 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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