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Home > Encyclopedia > 3,5-Bis(trifluoromethyl)benzenethiol

3,5-Bis(trifluoromethyl)benzenethiol

3,5-Bis(trifluoromethyl)benzenethiol structure

3,5-Bis(trifluoromethyl)benzenethiol 

structure
  • CAS No:

    130783-02-7

  • Formula:

    C8H4F6S

  • Chemical Name:

    3,5-Bis(trifluoromethyl)benzenethiol

  • Synonyms:

    3,5-BIS(TRIFLUOROMETHYL)THIOPHENOL;3,5-BIS(TRIFLUOROMETHYL)BENZENETHIOL;3,5-Bis(trifluoromethyl)thiophenol 95%;3,5-Bis(trifluoromethyl)thiophenol95%;3,5-Bis(trifluoromethyl)thiophenol,98%;3,5-bis(trifluoroMethyl)benzene-1-thiol;alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-thio-m-xylene, 3,5-Bis(trifluoromethyl)phenyl mercaptan;3,5-Bis(trifluoromethyl)benzenethiol 97%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear colorless to slightly yellow liquid

3,5-Bis(trifluoromethyl)benzenethiol Basic Attributes

246.17

245.993790

DTXSID20333802

29309090

Characteristics

1

4.4

Colorless to light yellow liquid

1.46 g/mL at 25 °C(lit.)

71 °C

167 °C(lit.)

150 °F

n 20/D 1.442(lit.)

Insoluble in water but soluble in alcohol and ether.

2.3mmHg at 25°C

Safety Information

6.1

UN 3334

3

36/37/38

26-36

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (97.87%): 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 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:246.17
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Exact Mass:245.99379027
Monoisotopic Mass:245.99379027
Topological Polar Surface Area:1
Heavy Atom Count:15
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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