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dinonylnaphthalenesulfonic acid sol. (25322-17-2)

Identification
Name:dinonylnaphthalenesulfonic acid sol.
Synonyms:Dinonylnaphthalenesulfonic acid
CAS:25322-17-2
EINECS: 246-841-9
Molecular Formula: C28H44O3S
Molecular Weight: 460.71216
InChI: InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-18-24-20-17-21-26-23-27(32(29,30)31)22-25(28(24)26)19-16-14-12-10-8-6-4-2/h17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31)
Molecular Structure: (C28H44O3S) Dinonylnaphthalenesulfonic acid
Properties
Transport:UN 2924
Melting Point: 259.5 ºC
Flash Point: °C
Refractive index:n20/D 1.465
Water Solubility:H2O: insoluble
Solubility:H2O: insoluble
Specification:

The IUPAC name of Dinonylnaphthalenesulfonic acid is 4,5-Di(nonyl)naphthalene-2-sulfonic acid and it could also be called as Naphthalenesulfonicacid, dinonyl-. With the CAS registry number of 25322-17-2, the other registry number of this chemical is 28348-51-8. Besides, it is insoluble in water, which should be stored in cool and dry place at the temperature of 2-8 °C. In addition, its molecular formula is C28H44O3S and molecular weight is 460.71. 

The other characteristics of Dinonylnaphthalenesulfonic acid can be summarized as: (1)EINECS: 246-841-9; (2)ACD/LogP: 11.12; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 7.63; (5)ACD/LogD (pH 7.4): 7.62; (6)ACD/BCF (pH 5.5): 54202.79; (7)ACD/BCF (pH 7.4): 52862.17; (8)ACD/KOC (pH 5.5): 8681.38; (9)ACD/KOC (pH 7.4): 8466.66; (10)H bond acceptors: 3; (11)H bond donors: 1; (12)Freely Rotating Bonds: 17; (13)Polar Surface Area: 51.75 Å2; (14)Index of Refraction: 1.535; (15)Molar Refractivity: 138 cm3; (16)Molar Volume: 443 cm3; (17)Polarizability: 54.7×10-24cm3; (18)Surface Tension: 41.2 dyne/cm; (19)Density: 1.039 g/cm3; (20)Boiling Point: 94-99 °C; (21)Flash Point: 30 °F; (22)Melting Point: 259.5 °C.

Uses of Dinonylnaphthalenesulfonic acid: this chemical is a cationic surfactant which can be used as catalyst for paint. Furthermore, it is also used as the raw materials of the stoving varnish and cooling catalyst which is used for producting amino.

When you are using this chemical, please be cautious about it as the following: Dinonylnaphthalenesulfonic acid is highly flammable and irritating to skin. Please keep away from sources of ignition. And it may cause lung damage if swallowed. If swallowed, do not induce vomitting, please seek medical advice immediately and show this container or label. Moreover, this chemical is very toxic to aquatic organisms, which may cause long-term adverse effects in the aquatic environment. And its vapours may cause drowsiness and dizziness. Please avoid release to the environment. refer to special instructions / safety data sheets. And do not empty into drains. Additionally, please keep container in a well-ventilated place. This material and its container must be disposed of as hazardous waste. Besides, please take precautionary measures against static discharges.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=S(=O)(O)c2cc1cccc(c1c(c2)CCCCCCCCC)CCCCCCCCC
(2)InChI:InChI=1/C28H44O3S/c1-3-5-7-9-11-13-15-18-24-20-17-21-26-23-27(32(29,30)31)22-25(28(24)26)19-16-14-12-10-8-6-4-2/h17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31)
(3)InChIKey:ANYJSVKEVRJWRW-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-18-24-20-17-21-26-23-27(32(29,30)31)22-25(28(24)26)19-16-14-12-10-8-6-4-2/h17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31)
(5)Std. InChIKey:ANYJSVKEVRJWRW-UHFFFAOYSA-N

Packinggroup: III
Flash Point: °C
Storage Temperature: 2-8°C
Safety Data
Hazard Symbols F:Flammable Xn:Harmful N:Dangerousfortheenvironment