CAS RN: 10386-84-2
4,4′-Dibromooctafluorobiphenyl
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260502 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250315 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250903 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251114 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250122 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTD1696
- Purity/Analytical Methods: >95.0%(GC)
10386-84-2 / 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
4,4'-Dibromooctafluorobiphenyl | 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl | 1,1'-Biphenyl, 4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-
Basic Information
CAS
10386-84-2
Multi CAS
Yes
Molecular Formula
C12Br2F8
Molecular Weight
455.920000
Exact Mass
455.821850
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F
InChI
InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
InChIKey
YXLMNFVUNLCJJY-UHFFFAOYSA-N
Synonyms
4,4'-Dibromooctafluorobiphenyl
4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl
1,1'-Biphenyl, 4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-
EINECS 233-847-1
NSC 96908
Physical Properties
Physical Description
4,4'-dibromooctafluorobiphenyl is a colorless oily liquid.
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
8
Molar refractivity
66.94
TPSA
0.0000
LogP / Solubility
WLOGP
5.99
MLOGP
5.3
XLogP3
5.7
Consensus LogP
5.66
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
