![CAS 120903-40-4 2,2,3,3,4,4,5,5,6,6-Decafluoro-6-[(1,2,2-trifluorovinyl)oxy]hexanenitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5223-jpgcontextbwfzdgvyfhjvb3r8mjcymzv8aw1hz2uvanblz3xozdmvagyxlzg5mzaznji5odi0mzavrduymjmuanbnfdyxmwq4ztg3ytdjyte4mtjhyta5ngu2ywfhndzknzrlmjk4ntc0yjk3mmyxnzywowriodnmyzdhota1njcwyjc.jpeg)
CAS RN: 120903-40-4
2,2,3,3,4,4,5,5,6,6-Decafluoro-6-[(1,2,2-trifluorovinyl)oxy]hexanenitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260620 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-022225
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
120903-40-4 / 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile
2,2,3,3,4,4,5,5,6,6-Decafluoro-6-[(1,2,2-trifluorovinyl)oxy]hexanenitrile | 2,2,3,3,4,4,5,5,6,6-decafluoro-6-[(1,2,2-trifluoroethenyl)oxy]hexanenitrile | 2,2,3,3,4,4,5,5,6,6-Decafluoro-6-((1,2,2-trifluorovinyl)oxy)hexanenitrile
Basic Information
CAS
120903-40-4
Multi CAS
No
Molecular Formula
C8F13NO
Molecular Weight
373.070000
Exact Mass
372.977230
SMILES
C(#N)C(C(C(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F13NO/c9-2(10)3(11)23-8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)1-22
InChIKey
QCWQPRUOTXVNSB-UHFFFAOYSA-N
Synonyms
2,2,3,3,4,4,5,5,6,6-Decafluoro-6-[(1,2,2-trifluorovinyl)oxy]hexanenitrile
2,2,3,3,4,4,5,5,6,6-decafluoro-6-[(1,2,2-trifluoroethenyl)oxy]hexanenitrile
2,2,3,3,4,4,5,5,6,6-Decafluoro-6-((1,2,2-trifluorovinyl)oxy)hexanenitrile
2,2,3,3,4,4,5,5,6,6-Decafluoro-6-((1,2,2-trifluoroethenyl)oxy)hexanenitrile
RefChem:440606
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
41.78
TPSA
33.02
LogP / Solubility
WLOGP
4.7
MLOGP
4.15
XLogP3
4.4
Consensus LogP
4.42
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501
