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Isopropyl tosylate

Isopropyl tosylate structure

CAS No:
2307-69-9
Formula:
C10H14O3S
Chemical Name:
Isopropyl tosylate
Synonyms:
Benzenesulfonic acid,4-methyl-,1-methylethyl ester;p-Toluenesulfonic acid,isopropyl ester;Isopropyl tosylate;Isopropyl p-toluenesulfonate;2-Propyl tosylate;Isopropyl p-tosylate;Isopropyl p-methylbenzenesulfonate;4-Methylbenzenesulfonic acid 1-methylethyl ester;Toluene-4-sulfonic acid isopropyl ester;Isopropyl 4-methylbenzenesulfonate
Categories:
Chemical Reagents > Organic Reagents

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Isopropyl tosylate Basic Attributes

Molecular Weight：

214.28

Exact Mass：

214.28

EC Number：

218-989-4

UNII：

14TSY160FA

HScode：

29041000

Characteristics

PSA：

51.8

XLogP3：

2.4

Density：

1.1±0.1 g/cm3

Melting Point：

20 °C

Boiling Point：

107-109 °C @ Press: 0.4 Torr

Flash Point：

110

Refractive Index：

1.508

Vapor Pressure：

0.00088mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isopropyl tosylate Use and Manufacturing

Methods of Manufacturing

General procedure: Iodobenzene diacetate (DIB, 0.24 mmol, 1.2 equiv) was added at room temperature to avigorously stirred solution of dichloromethane (0.5 mL), alcohol (0.5 mL), sulfinate (0.2mmol, 1 equiv) and acetic acid (0.01 to 0.05 mL) or TBAC (55.5 mg, 0.2 mmol, 2 equiv) tosolve the sulfonate salt. The mixture was then stirred for 15 min (followed by TLC with amixture of acetic acid/ethyl acetate/hexane) and then filtered on silica with ethyl acetate.The residue was purified by silica gel chromatography with a mixture of ethylacetate/hexane to give sulfonate product 4, 6 and 8.

Uses

Isopropyl p-Tosylate is a sulfonic acid ester, a potentialy alkylating agent. Studies suggest Isopropyl p-Tosylate may exert genotoxic effects in bacterial and mammalian cell systems.

Computed Properties

Molecular Weight:214.28
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.06636548
Monoisotopic Mass:214.06636548
Topological Polar Surface Area:51.8
Heavy Atom Count:14
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Isopropyl p-toluene sulfonate

CAS No.: 2307-69-9

Content: 99.00%

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