3-Bromo-5-fluoro-2-(trifluoromethyl)pyridine
Basic information
- CAS
1245914-35-5- Standard SMILES
Fc1cnc(C(F)(F)F)c(Br)c1- InChIKey
RRRFJEMWVAWRIX-UHFFFAOYSA-N- Molecular formula
- C6H2BrF4N
- Average molar mass
- 243.98 g/mol
- Monoisotopic mass
- 242.93067
Names & identifiers
- Preferred name
- 3-Bromo-5-fluoro-2-(trifluoromethyl)pyridine
- IUPAC
- 3-bromo-5-fluoro-2-(trifluoromethyl)pyridine
- English name
- 3-Bromo-5-fluoro-2-(trifluoromethyl)pyridine
- Molecular formula
- C6H2BrF4N
- Molecular weight
- 243.98
Names & synonyms
3-bromo-5-fluoro-2-(trifluoromethyl)pyridine1245914-35-5RefChem:93201892-985-6MFCD18255303SCHEMBL19778533SCHEMBL28999270SCHEMBL29698226RRRFJEMWVAWRIX-UHFFFAOYSA-NDTXSID001259876AKOS007930872AT22418
Show more names
Pyridine, 3-bromo-5-fluoro-2-(trifluoromethyl)-
MS-20295SY343008DB-3947183-Bromo-5-fluoro-2-(trifluoromethyl) pyridineA1-120254
Database identifiers
- CAS
1245914-35-5- PubChem CID
- 56587809
- DTXSID
DTXSID001259876- EC Number
- 892-985-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 147.4 · 147.4±35.0 °C(Predicted)
- Density
- 1.786 · 1.786±0.06 g/cm3(Predicted)
- pka
- -4.24 · -4.24±0.32(Predicted)
- form
- solid
- InChI
- 1S/C6H2BrF4N/c7-4-1-3(8)2-12-5(4)6(9,10)11/h1-2H
- InChIKey
- RRRFJEMWVAWRIX-UHFFFAOYSA-N
- SMILES
- BrC1=CC(F)=CN=C1C(F)(F)F
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · WGK 3
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- WGK 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Uses3-Bromo-5-fluoro-2-(trifluoromethyl)pyridine is a useful synthetic intermediate
Suppliers
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Related reactions
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Compound notes
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