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Isopropyl toluene-4-sulphonate

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Name

Isopropyl toluene-4-sulphonate

EINECS 218-989-4
CAS No. 2307-69-9 Density 1.163 g/cm3
PSA 51.75000 LogP 3.18950
Solubility N/A Melting Point 20 °C
Formula C10H14O3S Boiling Point 314.1 °C at 760 mmHg
Molecular Weight 214.285 Flash Point 143.7 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2307-69-9 (ISOPROPYL P-TOLUENESULFONATE) Hazard Symbols IrritantXi
Synonyms

1-methyl-4-propan-2-ylsulfonyloxy-benzene;Isopropyl p-Toluenesulfonate;

Article Data 38

Isopropyl toluene-4-sulphonate Synthetic route

104-15-4

toluene-4-sulfonic acid

143885-03-4

isopropyloxy(diphenyl)-λ6-sulfanenitrile

A

2307-69-9

toluene-4-sulfonic acid isopropyl ester

B

22731-83-5

S,S-diphenylsulphoximine

Conditions
ConditionsYield
In chloroform-d1 at 20℃; for 0.25h;A 99%
B n/a
98-59-9

p-toluenesulfonyl chloride

67-63-0

isopropyl alcohol

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
With pyridine at 0℃; for 3h;94%
With potassium hydroxide; potassium carbonate for 0.05h;90%
With pyridine at 0 - 20℃;85%
75-30-9

2-iodo-propane

27126-76-7

[hydroxy(tosyloxy)iodo]benzene

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
In chloroform at 25℃; for 1h; further solvent;90%
104-15-4

toluene-4-sulfonic acid

67-63-0

isopropyl alcohol

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
With (fluoro)diphenyl-η6-sulfanenitrile; sodium at 20℃; for 0.333333h;88%
Fe(3+)-exchanged montmorillonite clay In 1,2-dichloro-ethane at 80℃; for 5h;75%
at 70℃;
4124-41-8

p-toluenesulfonylanhydride

67-63-0

isopropyl alcohol

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
With ytterbium(III) triflate In dichloromethane at 20℃; for 24h;87%
104-15-4

toluene-4-sulfonic acid

7237-16-3

diisopropyl phenylphosphonate

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 40℃; for 48h;82%
513-02-0

triisopropyl phosphate

104-15-4

toluene-4-sulfonic acid

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 40℃; for 72h; Product distribution; investigate effect of molar ratio, solvent, temperature and reaction time;77%
In 1,2-dichloro-ethane at 40℃; for 72h;77%
1825-64-5

isopropoxytrimethylsilane

98-59-9

p-toluenesulfonyl chloride

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
With FeCl3-Montmorillonite K-10 In acetonitrile for 9h; Heating;77%
824-79-3

sodium 4-methylbenzenesulfinate

67-63-0

isopropyl alcohol

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene at 20℃; for 0.25h;74%
116-17-6

triisopropyl phosphite

104-15-4

toluene-4-sulfonic acid

2307-69-9

toluene-4-sulfonic acid isopropyl ester

Conditions
ConditionsYield
In 1,2-dichloro-ethane for 72h; Product distribution; Ambient temperature; investigate effect of reaction time;71%
In 1,2-dichloro-ethane for 72h; Ambient temperature;71%

Isopropyl toluene-4-sulphonate Specification

The Isopropyl toluene-4-sulphonate, with the CAS registry number 2307-69-9, is also known as Isopropyl 4-methylbenzenesulfonate. Its EINECS registry number is 218-989-4. This chemical's molecular formula is C10H14O3S and molecular weight is 214.2814. Its systematic name is called propan-2-yl 4-methylbenzenesulfonate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties of Isopropyl toluene-4-sulphonate: (1)ACD/LogP: 2.164; (2)ACD/LogD (pH 5.5): 2.16; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 25.96; (5)ACD/BCF (pH 7.4): 25.96; (6)ACD/KOC (pH 5.5): 358.10; (7)ACD/KOC (pH 7.4): 358.10; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.508 ; (11)Molar Refractivity: 55.8 cm3; (12)Molar Volume: 187.239 cm3; (13)Polarizability: 22.121 10-24cm3; (14)Surface Tension: 36.443000793457 dyne/cm; (15)Density: 1.144 g/cm3; (16)Flash Point: 143.739 °C; (17)Enthalpy of Vaporization: 53.307 kJ/mol; (18)Boiling Point: 314.061 °C at 760 mmHg; (19)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC(C)C)c1ccc(cc1)C
(2)InChI: InChI=1/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
(3)InChIKey: SDQCGKJCBWXRMK-UHFFFAOYAW

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