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CAS 557-91-5 1,1-Dibromoethane (stabilized with Copper chip) molecular structure lightbox
CAS RN: 557-91-5

1,1-Dibromoethane (stabilized with Copper chip)

  • Product code: SSC-163641
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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: 1g
  • 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 557-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

557-91-5 / 1,1-dibromoethane

Standard CAS: 557-91-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
557-91-5
Multi CAS
No
Molecular Formula
C2H4BR2
Molecular Weight
187.860000
Exact Mass
187.865930
InChI
InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
InChIKey
APQIUTYORBAGEZ-UHFFFAOYSA-N

Physical Properties

Melting Point
-63 °C
Boiling Point
108.0 °C
Density
2.0555 g/cu cm at 20 °C
Physical Description
Liquid; [HSDB] Clear, slightly brown liquid; Stabilized with potassium carbonate
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
Molar refractivity
27.32
TPSA
0.0000

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.36

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

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