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o-(or p)-Toluenesulphonamide buy 8013-74-9 supplier o-(or p)-Toluenesulphonamide, 8013-74-9 price
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1. Introduction of OPTSA
OPTSA (CAS NO.8013-74-9) is one kind of white crystalline powder. The 2-methylbenzenesulfonamide is the IUPAC Name of this chemical. Besides, this chemical belongs to the classification code which is Skin / Eye Irritant.
We has the min 99% OPTSA. The detailed information of this chemical is as follows:
OPTSA Name of product : 0\P-toluenesulfonate ( OPTSA ) Molecular formula : C7H9NO2S Melting point : min 106°C Water: max 0.3 % Colority (APHA) : max 30 Pt/Co Chloride : max 100 ppm Ortho/ Para : 40\60 OR 30\70 OR 20\80 ±5% plus-minus Ash : max 0.1% PH : 6.5-7.5.
2. Basic information of OPTSA
1) Properties:
(1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.33; (6)ACD/BCF (pH 7.4): 2.33; (7)ACD/KOC (pH 5.5): 63.76; (8)ACD/KOC (pH 7.4): 63.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 43.81 cm3; (15)Molar Volume: 134.6 cm3; (16)Polarizability: 17.36×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 153.5 °C; (20)Enthalpy of Vaporization: 57.28 kJ/mol; (21)Boiling Point: 330.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000169 mmHg at 25°C.
2) Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD | skin | > 7500mg/kg (7500mg/kg) | National Technical Information Service. Vol. OTS0545835, | |
rat | LD50 | oral | 3800mg/kg (3800mg/kg) |
BLOOD: OTHER CHANGES BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA |
National Technical Information Service. Vol. OTS0545835, |
3) Descriptors of Structure
Smiles: S(c1c(C)cccc1)(=O)(=O)N
InChI: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=CC=C1S(=O)(=O)N
4) Uses of OPTSA
OPTSA is successfully used as a plasticizer for melamine based and other resins. It is used in various applications such as:
•Plasticizer in melamine coating and laminating resins
•Plasticizer in thermosetting resins
•Plasticizer in thermoplastics
•Component in fluorescent pigments
•Brightener in nickel-plating formulations
•Raw material in the manufacture of plasticizers and resins
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