Basic information
- CAS
407-16-9- Standard SMILES
FC(F)(F)Sc1ccc(Cl)cc1- InChIKey
ATFBQTUDGRJCNB-UHFFFAOYSA-N- Molecular formula
- C7H4ClF3S
- Average molar mass
- 212.62 g/mol
- Monoisotopic mass
- 211.96743347
Names & identifiers
- Preferred name
- 4-Chlorophenyl trifluoromethyl sulfide
- IUPAC
- 1-chloro-4-(trifluoromethylsulfanyl)benzene
- English name
- 4-(Trifluoromethylthio)chlorobenzene
- Molecular formula
- C7H4ClF3S
- Molecular weight
- 212.62
Names & synonyms
407-16-94-CHLOROPHENYL TRIFLUOROMETHYL SULFIDE1-chloro-4-[(trifluoromethyl)sulfanyl]benzene1-chloro-4-(trifluoromethylsulfanyl)benzeneBenzene,1-chloro-4-[(trifluoromethyl)thio]-MFCD000409544-Chlorophenyl trifluoromethyl sulphide4-ChlorophenyltrifluoromethylsulfideTrifluoromethyl p-chlorophenyl sulfide1-chloro-4-(trifluoromethylthio)benzene1-Chloro-4-[(trifluoromethyl)thio]benzeneA825253
Show more names
(4-Chlorophenyl)(trifluoromethyl)sulfane1-Chloro-4-(trifl4-trifluoroMethyithio chlorobenzene4-(TRIFLUOROMETHYLTHIO)CHLOROBENZENE4-CHLOROPHENYLTRIFLUOROMETHYLSULPHIDE4-Chlorophenyl(trifluoromethoxy)Sulfide4-Chlorophenyl Trifluyoromethyl Sulfide
SCHEMBL233651SCHEMBL900564SCHEMBL8941845DTXSID803528571-chloro-4-trifluoromethylthiobenzeneSBB061872AKOS0026628874-chloro-1-(trifluoromethylthio)benzene
Database identifiers
- CAS
407-16-9- PubChem CID
- 735847
- DTXSID
DTXSID80352857- Nikkaji
- J46.591G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 175 °C · 175°C
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 407 · 407-16-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- TOXIC
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 26-36/37/39
- hazard_class
- TOXIC
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
Related reactions
2 records
Compound notes
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