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CAS 120801-75-4 Trimethylsilyl Difluoro(fluorosulfonyl)acetate molecular structure lightbox
CAS RN: 120801-75-4

Trimethylsilyl Difluoro(fluorosulfonyl)acetate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250823 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250724 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250124 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-022096
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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, 5g, 10g, 25g
  • Available purity: ≥90%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120801-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥90% 0 Out of Stock Shenzhen Inquiry
5g ≥90% 0 Out of Stock Hong Kong Inquiry
10g ≥90% 0 Out of Stock Beijing Inquiry
25g ≥90% 0 Out of Stock Beijing Inquiry

120801-75-4 / trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate

Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate | DTXSID40380752 | RefChem:191813

Standard CAS: 120801-75-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120801-75-4
Multi CAS
No
Molecular Formula
C5H9F3O4SSi
Molecular Weight
250.270000
Exact Mass
249.994291
SMILES
C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F
InChI
InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3
InChIKey
XHVSCKNABCCCAC-UHFFFAOYSA-N
Synonyms
Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate DTXSID40380752 RefChem:191813 DTXCID70331777 trimethylsilyl 2-(fluorosulfonyl)difluoroacetate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
44.41
TPSA
60.44

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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