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Basic information
- CAS
729-81-7- Standard SMILES
FC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
ZMAUHKSOLPYPDB-UHFFFAOYSA-N- Molecular formula
- C9H3F9
- Average molar mass
- 282.105 g/mol
- Monoisotopic mass
- 282.00910408
Names & identifiers
- Preferred name
- Benzene, 1,3,5-tris(trifluoromethyl)-
- IUPAC
- 1,3,5-Tris(trifluoromethyl)benzene
- English name
- 1,3,5-Tris(trifluoromethyl)benzene
- Molecular formula
- C9H3F9
- Molecular weight
- 282.11
Names & synonyms
1,3,5-Tris(trifluoromethyl)benzene, 97.5%1,3,5-Tri(trifluoromethyl)benzene1,3,5-TRIS(TRIFLUOROMETHYL)BENZENEBenzene, 1,3,5-tris(trifluoromethyl)-1,3,5-Tris(trifluoromethyl)benzene97%1,3,5-TRIS(TRIFLUOROMETHYL)BENZENE 97%1,3,5-Tris(trifluoromethyl)benzene ISO 9001：2015 REACH
Database identifiers
- CAS
729-81-7- PubChem CID
- 123085
- DTXSID
DTXSID90223201- ChEMBL
CHEMBL466378- EC Number
- 625-954-0
- Nikkaji
- J253.694C
Properties
Physicochemical properties
- Melting point
- 9 °C · 9.0 °C
- Boiling point
- 120 °C/750 · 120 °C/750 mmHg (lit.)
- Density
- 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.359(lit.)
- Flash point
- 110 °F · 110 °F
- solubility
- Chloroform, Ethyl Acetate (Sparingly)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Stability
- Volatile
- InChI
- InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
- InChIKey
- ZMAUHKSOLPYPDB-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
- CAS DataBase Reference
- 729 · 729-81-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F
- Risk Statements
- 10 · 10-36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29039990
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Flammable
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses1,3,5-tris(trifluoromethyl)benzene was used as a starting material in the synthesis of bis(2,4,6-tris(trifluoromethyl)phenyl)chloropnictines.It may be used as a starting material in the synthesis of 2,4,6-tris(trifluoromethyl)benzoic acid by reacting with n-butyllithium and carbon dioxide and in the synthesis of lithio derivative, via direct metalation with n-butyllithium.
General Description1,3,5-tris(trifluoromethyl)benzene is a tri-substituted benzene. It has been synthesized by reacting benzene-1,3,5-tricarboxylic acid with SF4. Reports suggest that 1,3,5-tris(trifluoromethyl)benzene is a nonanesthetics and shows convulsant properties. Its vapor absorption spectra and corresponding solution spectra has been investigated. Its reaction with methyl lithium has been analyzed using semiempirical reaction modelling.
Upstream & downstream products
Downstream products
Suppliers100 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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