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CAS 608-71-9 Pentabromophenol molecular structure lightbox
CAS RN: 608-71-9

Pentabromophenol

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100g Out of stock Inquiry
Batchno.20250909 25g In stock Shanghai Inquiry
Batchno.20250119 5g In stock Shanghai Inquiry
  • Product code: SSC-169467
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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: 25g
  • 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 608-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

608-71-9 / 2,3,4,5,6-pentabromophenol

Standard CAS: 608-71-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
608-71-9
Multi CAS
No
Molecular Formula
C6HBR5O
Molecular Weight
488.590000
Exact Mass
487.590330
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N

Physical Properties

Melting Point
445.1 °F (NTP, 1992) 229.5 °C 230 °C
Boiling Point
Sublimes (NTP, 1992) Sublimes
Physical Description
Pentabromophenol is a light brown powder. Insoluble in water. (NTP, 1992) Beige to brown solid; [ICSC] Orange or tan powder; BEIGE-TO-BROWN POWDER.
Appearance
Monoclinic prisms from acetic acid; needles from alcohol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.61
TPSA
20.23

LogP / Solubility

WLOGP
5.2
MLOGP
4.61
XLogP3
5
Consensus LogP
4.94
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01

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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