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CAS 1522-92-5 Pentaerythritol Tribromide molecular structure lightbox
CAS RN: 1522-92-5

Pentaerythritol Tribromide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-061981
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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, 100g, 500g
  • Available purity: ≥98%
  • 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 1522-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

1522-92-5 / 3-bromo-2,2-bis(bromomethyl)propan-1-ol

Standard CAS: 1522-92-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1522-92-5
Multi CAS
No
Molecular Formula
C5H9Br3O
Molecular Weight
324.840000
Exact Mass
323.818300
SMILES
C(C(CBr)(CBr)CBr)O
InChI
InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChIKey
QEJPOEGPNIVDMK-UHFFFAOYSA-N

Physical Properties

Physical Description
3-bromo-2,2-bis(bromomethyl)propanol is a white solid. (NTP, 1992) Other Solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.9
TPSA
20.23

LogP / Solubility

WLOGP
2.15
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Irritant Corrosive
Signal
Danger Warning
GHS Hazard Statements
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] H350: May cause cancer [Danger Carcinogenicity] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P280, P318, P405, and P501 P264+P265, P280, P305+P351+P338, and P337+P317 P203, P264+P265, P280, P305+P354+P338, P317, P318, P405, and P501 P203, P264+P265, P273, P280, P305+P354+P338, P317, P318, P405, and P501

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