Product Code
F547393
CAS
1609525-91-8
2-(Perfluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-ium tetrafluoroborate
CAS 1609525-91-8 | Product Code F547393
Details
Chemical Properties
Hazards
Documentation
Product Code
F547393
CAS Number
1609525-91-8
IUPAC
2-(2,3,4,5,6-pentafluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium tetrafluoroborate
Canonical Smiles
FC1=C(F)C(F)=C([N+]2=CN3CCCCCC3=N2)C(F)=C1F.F[B-](F)(F)F
InChI
InChI=1S/C13H11F5N3.BF4/c14-8-9(15)11(17)13(12(18)10(8)16)21-6-20-5-3-1-2-4-7(20)19-21;2-1(3,4)5/h6H,1-5H2;/q+1;-1
InChI Key
QAIJLEWIDPPHBD-UHFFFAOYSA-N
MDL Number
MFCD32640811
Molecular Formula
C13H11BF9N3
UNSPSC Code
12352005
SKU
F547393
Purity
98%
Molecular Weight
391.09
Logp
3.8817
H Bond Acceptors
2
Fsp3
0.384615384615
SDS Documents
Pictograms
GHS07: Harmful/Irritant
Signal Word
Warning
Hazard Statements
- H302 – Harmful if swallowed.
- H315 – Causes skin irritation.
- H319 – Causes serious eye irritation.
- H335 – May cause respiratory irritation.
Precautionary Phrases
- P101 – If medical advice is needed, have product container or label at hand.
- P260 – Do not breathe dust/fume/gas/mist/vapours/spray.
- P264 – Wash hands thoroughly after handling.
- P270 – Do not eat, drink or smoke when using this product.
- P271 – Use only outdoors or in a well-ventilated area.
- P280 – Wear protective gloves/protective clothing and eye/face protection.
- P301+P310 – IF SWALLOWED: Immediately call a POISON CENTER/doctor.
- P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
- P303+P361+P353 – IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
- P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
- P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321 – Specific treatment (see Section 4 on this SDS).
- P362+P364 – Take off contaminated clothing and wash it before reuse.
- P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
- P405 – Store locked up.
- P501 – Dispose of contents/container to hazardous waste disposal.
Download Certificate of Analysis

