CAS RN: 156-59-2

CIS-1,2-DICHLOROETHYLENE

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  • Product code: starshine_CAS156-59-2
  • Purity/Analytical Methods: >99.0%
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156-59-2 / (Z)-1,2-dichloroethene

Standard CAS: 156-59-2 Multi CAS: No

Basic Information

CAS
156-59-2
Multi CAS
No
Molecular Formula
C2H2Cl2
Molecular Weight
96.940000
Exact Mass
95.953356
SMILES
C(=C\Cl)\Cl
InChI
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
InChIKey
KFUSEUYYWQURPO-UPHRSURJSA-N

Physical Properties

Melting Point
-112.9 °F (NTP, 1992) -80.0 °C
Boiling Point
140 °F at 760 mmHg (NTP, 1992) 60 °C BP: 58-60 °C
Density
1.2837 at 68 °F (NTP, 1992) - Denser than water; will sink 1.2837 g/cu cm at 20 °C
Physical Description
1,2-dichloroethylene, (cis isomers) appears as a clear colorless liquid with an ether-like odor. Flash point 36-39 °F. Denser than water and insoluble in water. Vapors heavier than air. Used in the making of perfumes. Colorless liquid (usually a mixture of the cis & trans isomers) with a slightly acrid, chloroform-like odor; [NIOSH] Colorless liquid with an odor like ether; [CAMEO] Pleasant odor
Appearance
Liquid Colorless liquid
State
Liquid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature 2-8 °C. Handle and store under inert gas. Air and moisture sensitive. Light sensitive.

Computed Properties

Structural Parameters

Heavy atom count
4
Molar refractivity
20.85
TPSA
0.0000

LogP / Solubility

WLOGP
1.94
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H225: Highly Flammable liquid and vapor [Danger Flammable liquids] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H332 (97.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 P203, P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P303+P361+P353, P304+P340, P318, P319, P370+P378, P403+P233, P403+P235, P405, and P501
DOT ID (UN/NA Number)
1150

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