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CAS 79-94-7 Tetrabromobisphenol A molecular structure lightbox
CAS RN: 79-94-7

Tetrabromobisphenol A

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100g In stock Shenzhen Inquiry
Batchno.20251116 1kg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250328 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250120 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-188215
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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 79-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

79-94-7 / 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol

Standard CAS: 79-94-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
79-94-7
Multi CAS
Yes
Molecular Formula
C15H12BR4O2
Molecular Weight
543.900000
Exact Mass
543.752980
InChI
InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKey
VEORPZCZECFIRK-UHFFFAOYSA-N

Physical Properties

Melting Point
356 to 363 °F (NTP, 1992) 179 °C Bromine content = 58.4%; specific gravity = 2.17; melting point = 179-181 °C /Commercial product/
Boiling Point
~316 °C (decomposes at 200-300 °C)
Density
2.2 kg/L at 4 °C Relative density = 2.12, 2.18
Physical Description
Tetrabromobisphenol a is a white powder. A monomer for flame-retardant epoxy, polyester and polycarboante resins. Pellets or Large Crystals; Liquid; Dry Powder; Other Solid Off-white solid; [HSDB] White powder
Appearance
Crystals from isopropyl alcohol White, crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.14
TPSA
40.46

LogP / Solubility

WLOGP
6.47
MLOGP
5.74
XLogP3
6.8
Consensus LogP
6.34
Log S (ESOL)
-7.58
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5

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