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CAS 935-79-5 cis-4-Cyclohexene-1,2-dicarboxylic Anhydride molecular structure lightbox
CAS RN: 935-79-5

cis-4-Cyclohexene-1,2-dicarboxylic Anhydride

  • Product code: SSC-207774
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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: 500g
  • 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 935-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g >97% 0 Out of Stock Beijing Inquiry

935-79-5 / 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Standard CAS: 935-79-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
935-79-5
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
InChIKey
KMOUUZVZFBCRAM-UHFFFAOYSA-N

Physical Properties

Melting Point
Crystals from petroleum ether. MP: 103.5 °C. Soluble in ethanol, acetone, chloroform, benzene; slightly soluble in petroleum ether. /cis-1,2,3,6-Tetrahydrophthalic anhydride/ 102 °C
Boiling Point
at 6.7kPa: 195 °C
Density
1.20 at 105 °C 1.4 g/cm³
Physical Description
Memtetrahydrophthalic anhydride is a clear colorless to light yellow slight viscous liquid. Highly toxic and a strong irritant to skin, eyes and mucous membranes. Corrosive to skin and metal. Used in making polyester, alkyd resins, and plasticizers. Tetrahydrophthalic anhydride appears as a white crystalline solid. Insoluble in water and denser than water. Hence sinks in waters. Very irritating to skin and eyes. Used to make plastics and adhesives. Mixed isomers. Pellets or Large Crystals; Liquid; Other Solid White solid; [ICSC]; [CHEMINFO] Clear colorless to light yellow liquid; [CAMEO] WHITE CRYSTALLINE POWDER.
Appearance
White crystalline powder
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
36.45
TPSA
43.37

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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