Basic information
- CAS
175205-82-0- Standard SMILES
FC(F)(F)c1cccnc1Br- InChIKey
OFGSIPQYQUVVPL-UHFFFAOYSA-N- Molecular formula
- C6H3BrF3N
- Average molar mass
- 225.99 g/mol
- Monoisotopic mass
- 224.9401
Names & identifiers
- Preferred name
- 2-Bromo-3-(trifluoromethyl)pyridine
- IUPAC
- 2-bromo-3-(trifluoromethyl)pyridine
- English name
- 2-Bromo-3-trifluoromethylpyridine
- Molecular formula
- C6H3BrF3N
- Molecular weight
- 225.99
Names & synonyms
2-Bromo-3-(trifluoromethyl)pyridineRefChem:466239625-765-3175205-82-02-bromo-3-trifluoromethylpyridinePyridine, 2-bromo-3-(trifluoromethyl)-MFCD001530842-Bromo-3-Trifluoromethyl PyridineSCHEMBL162911SCHEMBL29369617DTXSID704093492-Bromo-3-trifluoromethyl-pyridine
Show more names
16189BUTTPARK 27\06-852-BROMO-3-(TRIFLUORORMETHYL)PYRIDINEBromotrifluoromethylpyridine 23()---2-Bromo-3-(trifluoromethyl)pyridine98%2-Bromo-3-(trifluoromethyl)pyridine 98%2-Bromo-3-(trifluoromethyl)pyridine >16189 2-BROMO-3-TRIFLUOROMETHYLPYRIDINE
RB1731SBB0543852-bromo-3-(trifluoromethyl) pyridineAKOS005063454AB04059AC-9469CS-W013033PS-7770
Database identifiers
- CAS
175205-82-0- PubChem CID
- 5193820
- DTXSID
DTXSID70409349- EC Number
- 625-765-3
- Nikkaji
- J2.651.203D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 37 · 37-41 °C
- Boiling point
- 76 °C · 76°C 8mm
- Density
- 1.707 · 1.707±0.06 g/cm3(Predicted)
- Flash point
- 84 °F · 84 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- -1 · -1+-.0.10(Predicted)
- color
- Light yellow to Brown
- InChI
- InChI=1S/C6H3BrF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
- InChIKey
- OFGSIPQYQUVVPL-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC=CC=C1C(F)(F)F
- CAS DataBase Reference
- 175205 · 175205-82-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
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
H228 (89.1%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (89.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2926 4.1/PG 3
- hs_code
- 29333990
- risk_code
- 11-25-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- F,T,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Applications
Uses2-Bromo-3-trifluoromethylpyridine serves as a substrate for iridium-catalyzed borylation at the 5-position and participates in copper-mediated cross-coupling with ethyl bromodifluoroacetate to yield homo-coupling biaryl products[1][2]. The compound is employed in control experiments to investigate safety hazards associated with its homo-coupling reaction[2].
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Related reactions
11 records
Compound notes
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