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1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, ethyl ester, 1,1-dioxide

1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, ethyl ester, 1,1-dioxide structure

CAS No:
24683-20-3
Formula:
C11H11NO5S
Chemical Name:
1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, ethyl ester, 1,1-dioxide
Synonyms:
1,2-Benzisothiazole-2(3H)-acetic acid,3-oxo-,ethyl ester,1,1-dioxide;1,2-Benzisothiazoline-2-acetic acid,3-oxo-,ethyl ester,1,1-dioxide;(1,1,3-Trioxo-1,3-dihydro-1λ*6*-benzo[d]isothiazol-2-yl)-acetic acid ethyl ester

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1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, ethyl ester, 1,1-dioxide Basic Attributes

Molecular Weight：

269.27400

Exact Mass：

269.27

EC Number：

607-416-7

UNII：

KN712V27AV

DSSTox ID：

DTXSID50179412

HScode：

2934999090

Characteristics

PSA：

89.13000

XLogP3：

1.41290

Density：

1.442g/cm3

Melting Point：

104-105 °C @ Solvent: Methanol

Boiling Point：

441.4ºC at 760 mmHg

Flash Point：

220.8ºC

Refractive Index：

1.584

Vapor Pressure：

5.45E-08mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:269.28
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:269.03579362
Monoisotopic Mass:269.03579362
Topological Polar Surface Area:89.1
Heavy Atom Count:18
Complexity:453
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl2,3-dihydro-3-oxo-1,2-benzisothiazole-2-acetate-1,1-dioxide

CAS No.: 24683-20-3

Content: 99.00%

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Guide of 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, ethyl ester, 1,1-dioxide

Basic Attributes
Characteristics
Safety Information
Computed Properties
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