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.
5.7-6.7 depending on preparation
Relative density: 6.66 at 21.3 °C (OECD Guideline 109 (Density of Liquids and Solids))
5.7-6.7 g/cm³
Physical Description
Pellets or Large Crystals; Dry Powder
Solid that is dark gray (commercial product), olive green, or red; [Merck Index] Green powder, insoluble in water;
BLACK-TO-GREEN CRYSTALS OR POWDER.
Appearance
Powder or cubic or hexagonal crystals; color varies from olive green to red depending on particle size, but the commercial material is usually dark gray
Gray cubic crystals
Grayish powder under most conditiond; can form green brown crystals.
Black to green crystals or powder
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place. Storage class (TRGS 510): Non-combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials.
Computed Properties
Structural Parameters
Heavy atom count
2
H-bond acceptors
1
Molar refractivity
0.69
TPSA
17.07
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.12
XLogP3
-0.12
Consensus LogP
-0.12
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very 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)
-3.26
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)
Health Hazard
Acute Toxic
Irritant
Environmental Hazard
Signal
Warning
Danger
GHS Hazard Statements
H351: Suspected of causing cancer [Warning Carcinogenicity]
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]