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CAS 533-98-2 1,2-Dibromobutane molecular structure lightbox
CAS RN: 533-98-2

1,2-Dibromobutane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-160563
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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: 100g
  • 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 533-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

533-98-2 / 1,2-dibromobutane

Standard CAS: 533-98-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
533-98-2
Multi CAS
Yes
Molecular Formula
C4H8BR2
Molecular Weight
215.910000
Exact Mass
215.897230
InChI
InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey
CZWSZZHGSNZRMW-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellowish liquid; [Merck Index] Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
36.8
TPSA
0.0000

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.7
Consensus LogP
2.5
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.22

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
2

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