[email protected]
CAS 935-95-5 2,3,5,6-Tetrachlorophenol molecular structure lightbox
CAS RN: 935-95-5

2,3,5,6-Tetrachlorophenol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS935-95-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

935-95-5 / 2,3,5,6-tetrachlorophenol

Standard CAS: 935-95-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
935-95-5
Multi CAS
No
Molecular Formula
C6H2CL4O
Molecular Weight
231.900000
Exact Mass
231.883025
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
KEWNKZNZRIAIAK-UHFFFAOYSA-N

Physical Properties

Melting Point
237 to 241 °F (NTP, 1992) 115 °C
Boiling Point
327 °F at 23 mmHg (NTP, 1992) Sublimes
Density
1.6 at 140 °F (NTP, 1992) - Denser than water; will sink Relative density (water = 1): 1.6 (60 °C)
Physical Description
Leaflets (from ligroin) or light beige powder. (NTP, 1992) Brown solid; [ICSC] BROWN CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Leaf, from ligroin
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.15
TPSA
20.23

LogP / Solubility

WLOGP
4.01
MLOGP
3.53
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us