Cas no 27897-08-1 (Benzenesulfonic acid,4-amino-2,5-dimethyl-)
27897-08-1 structure
Product Name:Benzenesulfonic acid,4-amino-2,5-dimethyl-
CAS No:27897-08-1
MF:C8H11NO3S
MW:201.242841005325
CID:266497
PubChem ID:119744
Update Time:2025-04-19
Benzenesulfonic acid,4-amino-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-amino-2,5-dimethyl-
- 2-AMINO-4-(ETHYLSULFONYL)PHENOL
- 4-amino-2,5-dimethylbenzenesulfonic acid
- 2,5-Dimethylsulfanilic acid
- 2,5-Dimethylsulphanilic acid
- 2-Amino-1,4-dimethylbenzene-5-sulfonic acid
- 2,5-dimethyl-4-aminobenzenesulfonic acid
- SCHEMBL7757151
- NS00028383
- EINECS 248-718-5
- 4-Amino-2,5-xylenesulfonic acid
- 4-amino-2,5-dimethyl-benzenesulfonic acid
- 367YWG3CZ4
- QTYQPEBQHHUSIK-UHFFFAOYSA-N
- Benzenesulfonic acid, 4-amino-2,5-dimethyl-
- DTXSID5067346
- 27897-08-1
-
- Inchi: 1S/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
- InChI Key: QTYQPEBQHHUSIK-UHFFFAOYSA-N
- SMILES: S(C1C=C(C)C(=CC=1C)N)(=O)(=O)O
Computed Properties
- Exact Mass: 201.04603
- Monoisotopic Mass: 201.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 270
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 88.8A^2
Experimental Properties
- Density: 1.368
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.595
- PSA: 80.39
Benzenesulfonic acid,4-amino-2,5-dimethyl- Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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