3-Methylbenzenesulfonic Acid - CAS 617-97-0
Catalog: |
BB031260 |
Product Name: |
3-Methylbenzenesulfonic Acid |
CAS: |
617-97-0 |
Synonyms: |
3-methylbenzenesulfonic acid; 3-methylbenzenesulfonic acid |
IUPAC Name: | 3-methylbenzenesulfonic acid |
Description: | 3-Methylbenzenesulfonic Acid was one of the major biodegradation product from azo dyes in fungal degradation by capillary electrophoresis. |
Molecular Weight: | 172.20 |
Molecular Formula: | C7H8O3S |
Canonical SMILES: | CC1=CC(=CC=C1)S(=O)(=O)O |
InChI: | InChI=1S/C7H8O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
InChI Key: | JDQDSEVNMTYMOC-UHFFFAOYSA-N |
LogP: | 2.32250 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113072739-A | Method for catalyzing and hydrolyzing waste PET plastic by using recyclable solid organic acid | 20210204 |
CN-112390714-A | Synthesis method of adipic acid | 20201110 |
CN-112126046-A | Carbon dioxide-based copolyester and preparation method and application thereof | 20200917 |
CN-111320748-A | Preparation method of high-temperature-resistant polyester and high-temperature-resistant polyester | 20200415 |
WO-2021153751-A1 | Electrolytic capacitor | 20200130 |
PMID | Publication Date | Title | Journal |
22593710 | 20120101 | Synthesis of furo[3,2-b]pyrrole-5-carboxhydrazides and their Cu, Co and Ni complexes | TheScientificWorldJournal |
21578433 | 20091023 | 4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
21577810 | 20090905 | 4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate | Acta crystallographica. Section E, Structure reports online |
17126346 | 20070803 | Study of biodegradation products from azo dyes in fungal degradation by capillary electrophoresis/electrospray mass spectrometry | Journal of chromatography. A |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.01941529 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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