CAS No.4124-42-9,ammonium toluene-4-sulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4124-42-9
Name:	ammonium toluene-4-sulphonate
Article Data:	7

Formula:	C₈H₁₁O₃S-
Molecular Weight:	189.235
Synonyms:	methane; 4-methylbenzenesulfonate;Ammonium toluene-4-sulphonate;Ammonium p-toluenesulfonate;p-Toluenesulfonic acid, ammonium salt;
EINECS:	223-927-4
Density:	1.34 g/cm³
Melting Point:	106-107oC
Boiling Point:	294.7 °C at 760 mmHg
Flash Point:	132 °C
PSA:	65.99000
LogP:	2.64640

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Specification

The CAS registry number of Benzenesulfonic acid, 4-methyl-, ammonium salt is 4124-42-9. This chemical is also named as Benzenesulfonic acid, 4-methyl-, ammonium salt (1:1). Its EINECS registry number is 223-927-4. In addition, its molecular formula is C₇H₁₁NO₃S and molecular weight is 189.23214. Its systematic name and IUPAC name are the same which is called methane; 4-methylbenzenesulfonate.

Physical properties about Benzenesulfonic acid, 4-methyl-, ammonium salt are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 132 °C; (13)Enthalpy of Vaporization: 56.43 kJ/mol; (14)Boiling Point: 294.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000726 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S([O-])(=O)c1ccc(cc1)C.C
(2)InChI: InChI=1/C7H8O3S.CH4/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H4/p-1
(3)InChIKey: RGFDUTPSNJTRCY-REWHXWOFAQ