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2-Methylsulfonyl-1-(pyridin-4-yl)ethanone

2-Methylsulfonyl-1-(pyridin-4-yl)ethanone structure

CAS No:
27302-94-9
Formula:
C8H9NO3S
Chemical Name:
2-Methylsulfonyl-1-(pyridin-4-yl)ethanone
Synonyms:
2-methylsulfonyl-1-pyridin-4-ylethanone;

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2-Methylsulfonyl-1-(pyridin-4-yl)ethanone Basic Attributes

Molecular Weight：

199.22700

Exact Mass：

199.03031432

DSSTox ID：

DTXSID30371735

HScode：

2933399090

Characteristics

PSA：

72.48000

XLogP3：

1.38970

Density：

1.313g/cm3

Melting Point：

115-117ºC

Boiling Point：

455.8ºC

Flash Point：

229.4ºC

Refractive Index：

1.536

Vapor Pressure：

1.71E-08mmHg at 25°C

Safety Information

Marks：

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:199.23
XLogP3:-0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:199.03031432
Monoisotopic Mass:199.03031432
Topological Polar Surface Area:72.5
Heavy Atom Count:13
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methylsulfonyl-1-(pyridin-4-yl)ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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