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Ethyl benzenesulfonate

Ethyl benzenesulfonate structure

CAS No:
515-46-8
Formula:
C8H10O3S
Chemical Name:
Ethyl benzenesulfonate
Synonyms:
Benzenesulfonic acid,ethyl ester;Ethyl benzenesulfonate;Ethyl phenylsulfonate;NSC 3217
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear Colourless Oil

Ethyl benzenesulfonate Basic Attributes

Molecular Weight：

186.23

Exact Mass：

186.23

EC Number：

208-200-1

UNII：

09424QHU6Q

NSC Number：

3217

DSSTox ID：

DTXSID7075428

HScode：

2905199090

Characteristics

PSA：

51.8

XLogP3：

1.4

Density：

1,22 g/cm3

Boiling Point：

156 °C

Flash Point：

125.5ºC

Refractive Index：

1.5090 (20ºC)

Water Solubility：

1.376g/L(25 ºC)

Storage Conditions：

Refrigerator, Under Inert Atmosphere

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

DB6836550

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

Ethyl benzenesulfonate Use and Manufacturing

A sulfonate ester as potential genotoxic impurity in drug substances. It may exert genotoxic effects in bacterial and mammalian cell systems.

Computed Properties

Molecular Weight:186.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:186.03506535
Monoisotopic Mass:186.03506535
Topological Polar Surface Area:51.8
Heavy Atom Count:12
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl benzenesulphonate

CAS No.: 515-46-8

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Ethyl benzenesulphonate Cas 515-46-8

CAS No.: 515-46-8

Grade: Industrial Grade

Content: 99%

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