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Home > Encyclopedia > 4-(Methylsulfonyl)benzoic acid

4-(Methylsulfonyl)benzoic acid

4-(Methylsulfonyl)benzoic acid structure

4-(Methylsulfonyl)benzoic acid 

structure
  • CAS No:

    4052-30-6

  • Formula:

    C8H8O4S

  • Chemical Name:

    4-(Methylsulfonyl)benzoic acid

  • Synonyms:

    Benzoic acid,4-(methylsulfonyl)-;Benzoic acid,p-(methylsulfonyl)-;4-(Methylsulfonyl)benzoic acid;4-(Methanesulfonyl)benzoic acid;p-(Methylsulfonyl)benzoic acid;4-Carboxyphenyl methyl sulfone;NSC 11336

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

white powder

4-(Methylsulfonyl)benzoic acid Basic Attributes

200.21

200.21

223-756-5

11336

DTXSID90193531

2916399090

Characteristics

79.8

0.7

1.4±0.1 g/cm3

268-271 °C

210-220 °C @ Press: 0.1 Torr

215.3±26.5 °C

1.560

slight

Safety Information

NONH for all modes of transport

3

22

24/25-26

Xn,Xi

Irritant

P305 + P351 + P338

H302-H319

|Warning|H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:200.21
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.01432991
Monoisotopic Mass:200.01432991
Topological Polar Surface Area:79.8
Heavy Atom Count:13
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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