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Home > Encyclopedia > 2-[(4-Methylphenyl)sulfonyl]acetic acid

2-[(4-Methylphenyl)sulfonyl]acetic acid

2-[(4-Methylphenyl)sulfonyl]acetic acid structure

2-[(4-Methylphenyl)sulfonyl]acetic acid 

structure
  • CAS No:

    3937-96-0

  • Formula:

    C9H10O4S

  • Chemical Name:

    2-[(4-Methylphenyl)sulfonyl]acetic acid

  • Synonyms:

    Acetic acid,2-[(4-methylphenyl)sulfonyl]-;Acetic acid,(p-tolylsulfonyl)-;Acetic acid,[(4-methylphenyl)sulfonyl]-;2-[(4-Methylphenyl)sulfonyl]acetic acid;(p-Tolylsulfonyl)acetic acid;(p-Methylphenylsulfonyl)acetic acid;(p-Toluenesulfonyl)acetic acid;NSC 46893;4-Methylphenylsulfonylacetic acid;2-Tosylacetic acid;2-(4-Methylbenzenesulfonyl)acetic acid

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-[(4-Methylphenyl)sulfonyl]acetic acid Basic Attributes

214.23800

214.24

223-518-0

YID78NF77O

46893

DTXSID80192573

2916399090

Characteristics

79.82000

1.93410

white solid

1.35 g/cm3

114-115 °C

450.4ºC at 760 mmHg

Insoluble in water.

Safety Information

R36/37/38

S26-S36/37/39

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

H315

|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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:214.24
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:214.02997997
Monoisotopic Mass:214.02997997
Topological Polar Surface Area:79.8
Heavy Atom Count:14
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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