Basic information
- Standard SMILES
Nc1c(F)cc(F)cc1F- InChIKey
BJSVKBGQDHUBHZ-UHFFFAOYSA-N- Molecular formula
- C6H4F3N
- Average molar mass
- 147.1 g/mol
- Monoisotopic mass
- 147.02958379
Names & identifiers
- Preferred name
- 2,4,6-Trifluoroaniline
- IUPAC
- 2,4,6-trifluoroaniline
- English name
- 2,4,6-Trifluoroaniline
- Molecular formula
- C6H4F3N
- Molecular weight
- 147.1
Names & synonyms
2,4,6-Trifluoroaniline363-81-52,4,6-TrifluorobenzenamineEINECS 206-660-8DTXSID80189842RefChem:442913DTXCID40112333206-660-82-Amino-1,3,5-trifluorobenzeneMFCD00007650Benzenamine, 2,4,6-trifluoro-2,4,6-trifluorophenylamine
Show more names
2,4,6-Trifluoroanili2,4,6-Trifluoroanilin2,4,6-trifluoroaniune2,4,6-Trifluoroaniline,98%2,4,6-TRIFLUOROANILINE, 97+%2,4,6-Trifluoroaniline ISO 9001：2015 REACH
2,4,6 trifluoroaniline2,4,6-tri-fluoroaniline2,4,6-trifluoro-aniline2, 4, 6-trifluoroaniline2,4,6-Trifluoro-phenylamineSCHEMBL113484SCHEMBL3016659SCHEMBL27812590
Database identifiers
- CAS
363-81-5- PubChem CID
- 67765
- DTXSID
DTXSID80189842- EC Number
- 206-660-8
- Nikkaji
- J41H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LogP1.81
Physicochemical properties
- Melting point
- 33 · 33-37 °C (lit.)
- Boiling point
- 57 °C/22 · 57 °C/22 mmHg (lit.)
- Density
- 1.351 · 1.3510 (estimate)
- Flash point
- 136 °F · 136 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.87 · 1.87±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Water Solubility
- Insoluble in water.
- BRN
- 2831022 · 2831022
- InChI
- InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
- InChIKey
- BJSVKBGQDHUBHZ-UHFFFAOYSA-N
- SMILES
- C1(N)=C(F)C=C(F)C=C1F
- CAS DataBase Reference
- 363 · 363-81-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,4,6-Trifluoroaniline(363-81-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H302+H312-H315-H318-H335
- Precautionary statements
- 210 · P210-P240-P280-P301+P312-P302+P352+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn,F
- Risk Statements
- 36 · 36/37-41-38-21/22-11-37/38
- Safety Statements
- 26 · 26-39-36/37/39-16
- RIDADR
- 1325 · UN 1325 4.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 Kg · 5.0 Kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (98%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 3
- hs_code
- 29214200
- risk_code
- 36/37-41-38-21/22-11-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xi,Xn,F
- hazard_note
- Irritant
- safety_code
- 26-39-36/37/39-16
- hazard_class
- 6.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H228-H302+H312-H315-H318-H335
- Limited Quantities
- 5.0 Kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P240-P280-P301+P312-P302+P352+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Trifluoroaniline was used in the synthesis of:3-nitro-2,4,6 -trifluoroacetanilideseries of N′-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas4-substituted 2,6-difluoro N-aryl pyridinones
Uses2,4,6-Trifluoroaniline was used in the synthesis of 3-nitro-2,4,6 -trifluoroacetanilide; eries of N-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas and 4-substituted 2,6-difluoro N-aryl pyridinones.
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