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CAS 760-23-6 3,4-Dichloro-1-butene molecular structure lightbox
CAS RN: 760-23-6

3,4-Dichloro-1-butene

  • Product code: SSC-185436
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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 760-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

760-23-6 / 3,4-dichlorobut-1-ene

Standard CAS: 760-23-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
760-23-6
Multi CAS
No
Molecular Formula
C4H6CL2
Molecular Weight
124.990000
Exact Mass
123.984656
InChI
InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
InChIKey
XVEASTGLHPVZNA-UHFFFAOYSA-N

Physical Properties

Melting Point
-61 °C
Boiling Point
118.6 °C
Density
1.153 @ 25 °C/4 °C
Physical Description
Colorless liquid; [HSDB]
Appearance
COLORLESS LIQ
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
30.56
TPSA
0.0000

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.05

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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