苯基三氟甲基硫醚

Description

phenyl trifluoromethyl sulfide · CAS 456-56-4 · C7H5F3S. UNII WQ5SNM83PS. LogP: 3.57.

Identification

CAS Registry Number	456-56-4
PubChem CID	68011
Molecular formula	C7H5F3S
IUPAC name	trifluoromethylsulfanylbenzene
UNII (FDA)	WQ5SNM83PS

Computed Descriptors

Molecular Weight	178.18
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.00640582
Monoisotopic Mass	178.00640582
Topological Polar Surface Area	25.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

LogP	3.57

GHS Hazard Classification

Reported hazard statements	H226 (100%), H315 (13.3%), H319 (13.3%), H335 (11.1%)

Synonyms

456-56-4; [(trifluoromethyl)thio]benzene; ((Trifluoromethyl)thio)benzene; EINECS 207-270-0; DTXSID50196568; RefChem:390498; DTXCID90119059; 207-270-0; Phenyl trifluoromethyl sulfide; Trifluoromethylthiobenzene; trifluoromethylsulfanylbenzene; Benzene, [(trifluoromethyl)thio]-; PHENYL(TRIFLUOROMETHYL)SULFANE; trifluoromethyl phenyl sulfide; Phenyl trifluoromethyl sulphide; MFCD00040839

Frequently Asked Questions

What are the CAS number and molecular formula of phenyl trifluoromethyl sulfide?

CAS 456-56-4; molecular formula C7H5F3S; molecular weight — g/mol.

What other names is phenyl trifluoromethyl sulfide known by?

456-56-4, [(trifluoromethyl)thio]benzene, ((Trifluoromethyl)thio)benzene, EINECS 207-270-0, DTXSID50196568, RefChem:390498.

Is phenyl trifluoromethyl sulfide classified as hazardous?

Hazard statements reported: H226, H315, H319, H335.

What are the key physical properties of phenyl trifluoromethyl sulfide?

LogP: 3.57.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.