Basic information
- CAS
92-30-8- Standard SMILES
FC(F)(F)c1ccc2c(c1)Nc1ccccc1S2- InChIKey
RKGYJVASTMCSHZ-UHFFFAOYSA-N- Molecular formula
- C13H8F3NS
- Average molar mass
- 267.27 g/mol
- Monoisotopic mass
- 267.03295492
Overview
2-(trifluoromethyl)-10H-phenothiazine is a member of phenothiazines.
Names & identifiers
- Preferred name
- 2-(trifluoromethyl)-10H-phenothiazine
- IUPAC
- 2-(trifluoromethyl)-10H-phenothiazine
- English name
- 2-(Trifluoromethyl)phenothiazine
- Molecular formula
- C13H8F3NS
- Molecular weight
- 267.27
Names & synonyms
92-30-82-(Trifluoromethyl)-10H-phenothiazine2-TrifluoromethylphenothiazineTrifluoromethylphenothiazine10H-Phenothiazine, 2-(trifluoromethyl)-PHENOTHIAZINE, 2-(TRIFLUOROMETHYL)-NSC-50438877S053KX3DTXSID3059050RefChem:483837DTXCID1048756202-145-7
Show more names
2 - Trifluoro PhenothiazineCompound PDK0397TIMTEC-BB SBB0030582-Trifluomethylphenothiazine2-TRIFLUORO-10H-PHENOTHIAZINE2-Triflouromethylphenothiazine2-(TRIFLOUOMETHYL) PHENOTHIAZINE2-Trilfluoromethyl Phenothiazine2-(trifluoromethyl)-phenothiazin
2-(Trifluoromethyl)phenothiazine2-(Trifluoromethyl)-PhenothiazineMFCD00005018SR-01000441858-2C13H8F3NSEINECS 202-145-7NSC 50438BRN 0226580
Database identifiers
- CAS
92-30-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physicochemical properties
- Melting point
- 188 · 188-190 °C(lit.)
- Boiling point
- 361.1 · 361.1±42.0 °C(Predicted)
- Density
- 1.3491 · 1.3491 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- -2.6 · -2.60±0.20(Predicted)
- form
- Solid
- color
- Pale Yellow to Light Green
- BRN
- 226580 · 226580
- InChI
- InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
- InChIKey
- RKGYJVASTMCSHZ-UHFFFAOYSA-N
- SMILES
- C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1C(F)(F)F
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 2-trifluoromethylphenothiazine (EC: 202-145-7)
10H-Phenothiazine, 2-(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SP5620000
- hs_code
- 29349990
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36-37/39-26
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing Information10H-Phenothiazine, 2-(trifluoromethyl)-: INACTIVE
Applications
Uses2-(Trifluoromethyl)phenothiazine is used in the synthesis of antitubercolosis pharmaceuticals as well as antiproliferatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
9 records
Compound notes
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