Cas no 27157-73-9 (Benzenedisulfonic acid,methyl- (9CI))
27157-73-9 structure
Product Name:Benzenedisulfonic acid,methyl- (9CI)
CAS No:27157-73-9
MF:C7H8O6S2
MW:252.264820098877
CID:273924
Update Time:2024-01-27
Benzenedisulfonic acid,methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenedisulfonic acid,methyl- (9CI)
- 3-methylbenzene-1,2-disulfonic acid
- phenylmethanedisulfonic acid
- Toluenedisulphonic acid
- Toluenedisulfonic acid
-
- Inchi： 1S/C7H8O6S2/c1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
- InChI Key： LTYBYSFEGHYUDB-UHFFFAOYSA-N
- SMILES： C1(C)=CC=C(S(O)(=O)=O)C=C1S(O)(=O)=O
Computed Properties
- Exact Mass: 251.97624
- Monoisotopic Mass: 251.976229
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 126
Experimental Properties
- Density: 1.667
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.645
- PSA: 108.74
Benzenedisulfonic acid,methyl- (9CI) Related Literature
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Mark B. Bushuev,Denis P. Pishchur,Elena B. Nikolaenkova,Viktor P. Krivopalov Phys. Chem. Chem. Phys. 2016 18 16690
-
L. Onsager Trans. Faraday Soc. 1927 23 341
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3. Experimental and molecular modelling studies on aromatic sulfonationJohn O. Morley,David W. Roberts,Simon P. Watson J. Chem. Soc. Perkin Trans. 2 2002 538
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4. Reaction of tin metal powder with triorganophosphorus dihalides: isolation and spectroscopic characterisation of [PR3X][SnX3] and cis- and trans-Sn(PR3)2X4(X = Br or I; R3= Ph3, Ph2Me or PhMe2)Neil Bricklebank,Stephen M. Godfrey,Charles A. McAuliffe,Kieran C. Molloy J. Chem. Soc. Dalton Trans. 1995 1593
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