Benzenamine, 2-((trifluoromethyl)thio)-
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Basic information
- CAS
347-55-7- Standard SMILES
Nc1ccccc1SC(F)(F)F- InChIKey
HIPLFBJHUALLRK-UHFFFAOYSA-N- Molecular formula
- C7H6F3NS
- Average molar mass
- 193.19 g/mol
- Monoisotopic mass
- 193.01730486
Names & identifiers
- Preferred name
- Benzenamine, 2-((trifluoromethyl)thio)-
- IUPAC
- 2-(trifluoromethylsulfanyl)aniline
- English name
- 2-(TRIFLUOROMETHYLTHIO)ANILINE
- Molecular formula
- C7H6F3NS
- Molecular weight
- 193.19
Names & synonyms
2-[(trifluoromethyl)thio]anilineBenzenamine, 2-[(trifluoromethyl)thio]-2-((Trifluoromethyl)thio)anilineBenzenamine, 2-((trifluoromethyl)thio)-2-AminobenzothiotrifluorideEINECS 206-473-1DTXSID3059840RefChem:561662DTXCID9038892206-473-12-(trifluoromethylthio)aniline347-55-7
Show more names
)thio)aniLBUTTPARK 44\10-20O-TRIFLUOROMETHYLTHIOANILINE2-Aminophenyltrifluoromethylsulfide2-[(Trifluoromethyl)thio]aniline98%[2-(trifluoromethylthio)phenyl]amine2-(Trifluoromethylthio)aniline, 97+%2-[(trifluoromethyl)thio]-benzenamin
2-[(Trifluoromethyl)sulfanyl]aniline2-(trifluoromethylsulfanyl)aniline2-Aminophenyl trifluoromethyl sulphideMFCD002363332-AMINOPHENYL TRIFLUOROMETHYL SULFIDE2-trifluoromethylthio anilineSCHEMBL398169SCHEMBL29549836
Database identifiers
- CAS
347-55-7- PubChem CID
- 67670
- DTXSID
DTXSID3059840- EC Number
- 206-473-1
- Nikkaji
- J193.803G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 30 · 30-34 °C
- Boiling point
- 70 · 70-72 °C(Press: 7 Torr)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Flash point
- 90 °C · 90 °C
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 1.08 · 1.08±0.10(Predicted)
- InChI
- 1S/C7H6F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2
- InChIKey
- HIPLFBJHUALLRK-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1SC(F)(F)F
- CAS DataBase Reference
- 347 · 347-55-7(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-[(Trifluoromethyl)thio]aniline (347-55-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29309090
- risk_code
- 20/21/22-36/37-39-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi,Xn
- hazard_note
- Toxic
- safety_code
- 23-36/37/39-45-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-[(trifluoromethyl)thio]-: INACTIVE
Related reactions
4 records
Compound notes
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