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CAS 1107-00-2 4,4′-(Hexafluoroisopropylidene)diphthalic Anhydride (purified by sublimation) molecular structure lightbox
CAS RN: 1107-00-2

4,4′-(Hexafluoroisopropylidene)diphthalic Anhydride (purified by sublimation)

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250628 100g In stock Inquiry
Batchno.20260324 25g In stock Inquiry
Batchno.20250926 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260209 100g In stock Inquiry
Batchno.20250725 1g In stock Inquiry
Batchno.20250806 25g In stock Inquiry
Batchno.20250925 500g Out of stock Inquiry
Batchno.20250528 5g In stock Inquiry
  • Product code: SSC-011668
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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: 100g
  • 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 1107-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

1107-00-2 / 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione

4,4'-(Hexafluoroisopropylidene)diphthalic anhydride | 1,3-Isobenzofurandione, 5,5'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- | N2GA6JCU7H

Standard CAS: 1107-00-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1107-00-2
Multi CAS
Yes
Molecular Formula
C19H6F6O6
Molecular Weight
444.200000
Exact Mass
444.006857
SMILES
C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
InChI
InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
InChIKey
QHHKLPCQTTWFSS-UHFFFAOYSA-N
Synonyms
4,4'-(Hexafluoroisopropylidene)diphthalic anhydride 1,3-Isobenzofurandione, 5,5'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- N2GA6JCU7H 1,3-Isobenzofurandione, 5,5'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis- 2,2'-Bis(3,4-dicarboxyphenyl)hexafluoropropane dianhydride

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
85.27
TPSA
86.74

LogP / Solubility

WLOGP
3.72
MLOGP
3.3
XLogP3
4.6
Consensus LogP
3.87
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

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
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (94.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (91.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (54.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501

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