4-Fluorophenyl trifluoromethyl sulphide

HCID 136758CAS 940-76-1
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(SC(F)(F)F)cc1
InChIKey
BTKQCAUEXFTVNT-UHFFFAOYSA-N
Molecular formula
C7H4F4S
Average molar mass
196.17 g/mol
Monoisotopic mass
195.99698401

Names & identifiers

Preferred name
4-Fluorophenyl trifluoromethyl sulphide
IUPAC
1-fluoro-4-(trifluoromethylsulfanyl)benzene
English name
1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE
Molecular formula
C7H4F4S
Molecular weight
196.17

Names & synonyms

940-76-14-Fluorophenyl trifluoromethyl sulphideDTXSID50240196RefChem:99044DTXCID50162687BTKQCAUEXFTVNT-UHFFFAOYSA-N1-Fluoro-4-(trifluoromethylthio)benzene1-fluoro-4-[(trifluoromethyl)sulfanyl]benzene1-fluoro-4-(trifluoromethylsulfanyl)benzeneMFCD00040978trifluoro(4-fluorophenylthio)methaneBenzene, 1-fluoro-4-[(trifluoromethyl)thio]-
Show more names
à,à,à,4-tetrafluorothioanisole4-Fluorophenyltrifluoromethylsulfide4-(Trifluoromethylthio)fluorobenzeneP-FLUOROPHENYLTRIFLUOROMETHYL SULFIDE4-Fluorophenyltrifluoromethylsulphide97%1-FLUORO-4-TRIFLUOROMETHYLSULFANYL-BENZENEalpha,alpha,alpha-4-Tetrafluorothioanisole
SCHEMBL900710SCHEMBL900852SCHEMBL7940607SBB091970AKOS005254835(4-fluorophenyl)(trifluoromethyl)sulfaneAS-66829SY062156

Database identifiers

CAS
940-76-1
PubChem CID
136758
DTXSID
DTXSID50240196
EC Number
680-881-1
Nikkaji
J785.118I

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
136 · 136-138°C
Density
1.38 · 1.38
refractive index
1.45 · 1.45
Flash point
136 · 136-138°C
storage temp.
2 · 2-8°C, stored under nitrogen
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr
1993
hs_code
29039990
risk_code
10-36/37/38
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_code
T,Xi

Chemistry & industry

Upstream & downstream products

Suppliers23 total

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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