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CAS 1476-11-5 cis-1,4-Dichloro-2-butene molecular structure lightbox
CAS RN: 1476-11-5

cis-1,4-Dichloro-2-butene

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1476-11-5
  • Purity/Analytical Methods: >99.0%
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1476-11-5 / (Z)-1,4-dichlorobut-2-ene

Standard CAS: 1476-11-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1476-11-5
Multi CAS
No
Molecular Formula
C4H6Cl2
Molecular Weight
124.990000
Exact Mass
123.984656
SMILES
C(/C=C\CCl)Cl
InChI
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1-
InChIKey
FQDIANVAWVHZIR-UPHRSURJSA-N

Physical Properties

Melting Point
-48 °C Heat of Vaporization: 4.9201X10+7 J/kmol @ melting point Surface Tension: 0.045796 Newtons/m @ melting point
Boiling Point
152.5 °C
Density
1.188 @ 25 °C/4 °C
Physical Description
Colorless liquid; [HSDB]
Appearance
Colorless liquid
State
Liquid
Storage Conditions
Storage temperature: Ambient with open venting and equipped with a flame arrester. /Dichlorobutene/

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
30.58
TPSA
0.0000

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-1.76
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
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H226 (98%): Flammable liquid and vapor [Warning Flammable liquids] H301 (94.1%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (94.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H330 (94.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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