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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 45158880Generated: October 23, 2026

2-(Trifluoromethyl)pyridine-4-boronic acid

4-Borono-2-(trifluoromethyl)pyridine · 2-Trifluoromethyl-4-pyridineboronic acid · 2-(Trifluoromethyl)-4-pyridylboronic acid · 2-(Trifluoromethyl)pyridine-4-boronic acid · 2-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID · 2-(Trifluoromethyl)pyridine-4-boronicacid96% · 2-(Trifluoromethyl)pyridine-4-boronic acid 96% · 2-(trifluoromethyl)pyridin-4-yl-4-boronic acid

https://huagongshe.com/en/chemical/45158880

2-(Trifluoromethyl)pyridine-4-boronic acid molecular structure

Identifiers & Physical Properties

CAS No.1093407-58-9
Molecular formulaC6H5BF3NO2
Average molar mass190.92 g/mol
Monoisotopic mass191.03654346 g/mol
SMILESOB(O)c1ccnc(C(F)(F)F)c1
InChIKeyPHLLTVDZCKUNJN-UHFFFAOYSA-N
PubChem CID45158880
EC No.687-913-3
DTXSIDDTXSID30669780

Chemical & Physical Properties

Topological polar surface area53.4
Hydrogen bond donors2
Hydrogen bond acceptors6
Rotatable bonds1
Heavy atoms13
Formal charge0
Complexity176
Boiling point285℃
Density1.44
Flash point126℃
Storage conditionsunder inert gas (nitrogen or Argon) at 2-8°C
Physical statesolid
pKa (acidity coefficient)6.56±0.10(Predicted)
AppearanceWhite to off-white Solid
InChIInChI=1S/C6H5BF3NO2/c8-6(9,10)5-3-4(7(12)13)1-2-11-5/h1-3,12-13H
InChIKeyPHLLTVDZCKUNJN-UHFFFAOYSA-N
SMILESB(C1C=CN=C(C(F)(F)F)C=1)(O)O
UNSPSC Code12352106
NACRESNA.21
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332-H319-H335
GHS precautionary statementsP271-P261-P280
Hazard symbolsT
Risk statements (R)25
Safety statements (S)45
UN transport numberUN2811
Water hazard class (WGK)WGK 3
Customs code2933399990
Storage class6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard classAcute Tox. 3 Oral

Safety & Regulations

GHS classificationDangerH301 (25%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (25%)
Water hazard class (WGK)WGK 3
UN transport numberUN2811
Customs code2933399990
Risk statements (R)25
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsT
Safety statements (S)45
Storage class6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
GHS hazard statementsH302+H312+H332-H319-H335
Hazard classAcute Tox. 3 Oral
GHS precautionary statementsP271-P261-P280

Applications & Uses

Uses

2-(Trifluoromethyl)pyridine-4-boronic Acid is a useful intermediate in the preparation of 3,5-Diaryl-2-aminopyridines as a novel class of orally active antimalarials.