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CAS 933-78-8 2,3,5-TRICHLOROPHENOL molecular structure lightbox
CAS RN: 933-78-8

2,3,5-TRICHLOROPHENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-207291
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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: ≥95%
  • 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 933-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

933-78-8 / 2,3,5-trichlorophenol

Standard CAS: 933-78-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
933-78-8
Multi CAS
Yes
Molecular Formula
C6H3CL3O
Molecular Weight
197.400000
Exact Mass
195.924948
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChIKey
WWGQHTJIFOQAOC-UHFFFAOYSA-N

Physical Properties

Melting Point
135 to 138 °F (NTP, 1992) 62 °C
Boiling Point
478 to 480 °F at 760 mmHg (NTP, 1992) 248-253 °C
Physical Description
Long colorless needles or white chalky solid. (NTP, 1992) COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.14
TPSA
20.23

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.54

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
1.5

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