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CAS 1513-87-7 Bis(2,2,2-trifluoroethyl) Carbonate molecular structure lightbox
CAS RN: 1513-87-7

Bis(2,2,2-trifluoroethyl) Carbonate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 100g In stock Inquiry
Batchno.20250611 1g In stock Inquiry
Batchno.20260203 25g In stock Inquiry
Batchno.20250801 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250409 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251122 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250501 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-061172
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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: 10g
  • Available purity: >97%
  • 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 1513-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1513-87-7 / bis(2,2,2-trifluoroethyl) carbonate

Standard CAS: 1513-87-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1513-87-7
Multi CAS
No
Molecular Formula
C5H4F6O3
Molecular Weight
226.070000
Exact Mass
226.006463
SMILES
C(C(F)(F)F)OC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChIKey
WLLOZRDOFANZMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
29.41
TPSA
35.53

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.7
Consensus LogP
2.32
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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