4-Formylbenzene-1,3-disulfonic acid disodium salt hydrate - CAS 207291-88-1
Catalog: |
BB016231 |
Product Name: |
4-Formylbenzene-1,3-disulfonic acid disodium salt hydrate |
CAS: |
207291-88-1 |
Synonyms: |
1,3-Benzenedisulfonic acid, 4-formyl-, sodium salt, hydrate (1:2:x); 1,3-Benzenedisulfonic acid, 4-formyl-, disodium salt, hydrate; Benzaldehyde 2,4-disulfonic acid disodium salt hydrate; Sodium 4-formylbenzene-1,3-disulfonate hydrate |
Related CAS: | 313223-11-9 (monohydrate) 88-39-1 (anhydrous free base)
|
IUPAC Name: | disodium;4-formylbenzene-1,3-disulfonate;hydrate |
Molecular Weight: | 310.21 (anhydrous basis) |
Molecular Formula: | C7H6O7S2.xH2O.2Na |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C=O.O.[Na+].[Na+] |
InChI: | InChI=1S/C7H6O7S2.2Na.H2O/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;;/h1-4H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2 |
InChI Key: | YKJQVLWZGODFIH-UHFFFAOYSA-L |
Purity: | 95% |
Appearance: | White to Light Yellow Powder |
Storage: | Store at RT |
LogP: | 1.40460 |
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-2782916-B1 | Carboxy x rhodamine analogs | 20111121 |
US-10139400-B2 | Carboxy X rhodamine analogs | 20111121 |
US-10215751-B2 | Carboxy X rhodamine analogs | 20111121 |
US-2013317207-A1 | Carboxy x rhodamine analogs | 20111121 |
US-2015260725-A1 | Carboxy x rhodamine analogs | 20111121 |
Complexity: | 425 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.92994806 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.92994806 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 149 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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