CAS RN: 156-60-5
trans-1,2-Dichloroethylene (stabilized with MEHQ)
Product Availability
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13 package records13 with current stock5 grade groups
- Product code: ICTD0368
- Purity/Analytical Methods: >98.0%(GC)
156-60-5 / (E)-1,2-dichloroethene
Basic Information
CAS
156-60-5
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-OWOJBTEDSA-N
Physical Properties
Melting Point
-58 °F (NTP, 1992)
-49.8 °C
Boiling Point
117 °F at 745 mmHg (NTP, 1992)
47.64 °C
BP: 47-49 °C
Heat of Formation (liquid): -24;3 kJ/mol; Heat of vaporization at BP: 28.9 kJ/mol
Density
1.2743 at 77 °F (NTP, 1992) - Denser than water; will sink
1.2565 g/cu cm at 20 °C
Physical Description
1,2-dichloroethylene, (trans isomers) is a clear colorless liquid with a pleasant odor. Flash point 43 °F.
Liquid
Colorless liquid (usually a mixture of the cis & trans isomers) with a slightly acrid, chloroform-like odor; [NIOSH]
Colorless liquid with a pleasant odor; [CAMEO] Clear light yellow liquid
Appearance
Colorless, light liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store it in an explosion-proof refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
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. Light sensitive. Air and moisture sensitive. Refrigerate before opening. Storage class (TRGS 510): 3: Flammable liquids.
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]
H319 (41.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
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+P265, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
DOT ID (UN/NA Number)
1150
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