CAS RN: 121882-75-5
Tris(4-trifluoromethylphenyl)bismuth Dichloride
- Product code: SSC-024692
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
121882-75-5 / dichloro-tris[4-(trifluoromethyl)phenyl]bismuth
Basic Information
CAS
121882-75-5
Multi CAS
No
Molecular Formula
C21H12BiCl2F9
Molecular Weight
715.200000
Exact Mass
713.997630
SMILES
C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
InChI
InChI=1S/3C7H4F3.Bi.2ClH/c3*8-7(9,10)6-4-2-1-3-5-6;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2
InChIKey
VOZWPVZQISDWJM-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
9
Molar refractivity
110.69
TPSA
0.0000
LogP / Solubility
WLOGP
6.64
MLOGP
5.9
XLogP3
6.64
Consensus LogP
6.39
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, and P501
