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Home > Encyclopedia > Ethanethioic acid, S-(4-bromophenyl) ester

Ethanethioic acid, S-(4-bromophenyl) ester

Ethanethioic acid, S-(4-bromophenyl) ester structure

Ethanethioic acid, S-(4-bromophenyl) ester 

structure
  • CAS No:

    28122-76-1

  • Formula:

    C8H7BrOS

  • Chemical Name:

    Ethanethioic acid, S-(4-bromophenyl) ester

  • Synonyms:

    Ethanethioic acid,S-(4-bromophenyl) ester;Acetic acid,thio-,S-(p-bromophenyl) ester;Benzenethiol,p-bromo-,acetate;S-(p-Bromophenyl) thioacetate;4-Bromophenyl thiolacetate;NSC 99890;S-(4-Bromophenyl) ethanethioate;1-[(4-Bromophenyl)sulfanyl]ethan-1-one

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Ethanethioic acid, S-(4-bromophenyl) ester Basic Attributes

231.10958

231.11

99890

DTXSID80182398

2930909090

Characteristics

42.37000

3.08770

1.57g/cm3

51-52 °C @ Solvent: Methanol

96 °C1 mm Hg(lit.)

>230 °F

1.622

Safety Information

UN 3335

3

22-43

36

AJ5900000

Xn

P280

H317

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:231.11
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:229.94010
Monoisotopic Mass:229.94010
Topological Polar Surface Area:42.4
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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