2-Fluoro-5-(trifluoromethyl)aniline
Basic information
- CAS
535-52-4- Standard SMILES
Nc1cc(C(F)(F)F)ccc1F- InChIKey
DRKWGMXFFCPZLW-UHFFFAOYSA-N- Molecular formula
- C7H5F4N
- Average molar mass
- 179.11 g/mol
- Monoisotopic mass
- 179.03581181
Names & identifiers
- Preferred name
- 2-Fluoro-5-(trifluoromethyl)aniline
- IUPAC
- 2-fluoro-5-(trifluoromethyl)aniline
- English name
- 2-Fluoro-5-(trifluoromethyl)aniline
- Molecular formula
- C7H5F4N
- Molecular weight
- 179.11
Names & synonyms
2-Fluoro-5-(trifluoromethyl)anilineRefChem:472461626-503-0535-52-43-Amino-4-fluorobenzotrifluoridealpha,alpha,alpha,6-Tetrafluoro-m-toluidineMFCD000076532-Fluoro-5-trifluoromethylanilineSCHEMBL3094792-fluoro-5-trifluoromethylanilina,a,a,6-Tetrafluoro-m-toluidine2-fluoro-5-trifluoromethyl aniline
Show more names
uoro-5-(trifLα,α,α,6-Tetrafluoro-m-toluidine4-FLUORO-3-AMINOBENZOTRIFLUORIDE3－amino－4－fluorobentozrifluoride3-amino-4-fluoro bensotrifluoride3-Amino-4-fluorobenzotrifluoride97%3-Amino-4-fluorobenzotrifluoride 97%4-FLUORO-3-AMINOBENZOTRIFLUORIDE 97%
CS-W017290PS-85502-fluoro-5-(trifluoromethyl)phenylamineAC-26227.alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidineBenzenamine, 2-fluoro-5-(trifluoromethyl)-3-Amino-4-fluorobenzotrifluoride; NSC 10327; alpha,alpha,alpha,6-Tetrafluoro-m-toluidineNSC10327
Database identifiers
- CAS
535-52-4- PubChem CID
- 136349
- DTXSID
DTXSID80201710- EC Number
- 626-503-0
- Nikkaji
- J149.710C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 155 °C · 155 °C (lit.)
- Density
- 1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 158 °F · 158 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol
- pka
- 1.98 · 1.98±0.10(Predicted)
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 1.378 · 1.378
- BRN
- 1950800 · 1950800
- InChI
- InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
- InChIKey
- DRKWGMXFFCPZLW-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C(F)(F)F)=CC=C1F
- CAS DataBase Reference
- 535 · 535-52-4(CAS DataBase Reference)
- NIST Chemistry Reference
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, P317, 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 46 reports by companies from 5 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810/6.1/II
- hs_code
- 29214200
- risk_code
- 20/21/22-36/37/38-23-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
Chemistry & industry
Applications
Uses2-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Related reactions
47 records
Compound notes
Loading…