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Home > Encyclopedia > 3-(difluoromethylsulfanyl)aniline

3-(difluoromethylsulfanyl)aniline

3-(difluoromethylsulfanyl)aniline structure

3-(difluoromethylsulfanyl)aniline 

structure
  • CAS No:

    24933-59-3

  • Formula:

    C7H7F2NS

  • Chemical Name:

    3-(difluoromethylsulfanyl)aniline

  • Synonyms:

    3-Difluormethylmercapto-anilin; 3-Difluoromethylsulfanyl-phenylamine;

3-(difluoromethylsulfanyl)aniline Basic Attributes

175.19900

175.02672673

DTXSID90650154

2930909090

Characteristics

51.32000

3.16470

1.29g/cm3

227.3ºC at 760 mmHg

91.2ºC

1.553

0.0783mmHg at 25°C

Safety Information

R36/37/38

S26; S36/37/39

|Danger|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, P310, P312, P321, P322, P330, P332+P313, P361, 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:175.20
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:175.02672673
Monoisotopic Mass:175.02672673
Topological Polar Surface Area:51.3
Heavy Atom Count:11
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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