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.
Crystals or liquid. Becomes anhydrous at 266 °F. (NTP, 1992)
Liquid
40% aqueous solution: Yellow liquid; [HSDB] Off-white to cream colored flakes
Appearance
Yellow liquid (40% w/w aqueous solution)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
33.65
TPSA
3.24
LogP / Solubility
WLOGP
-2.62
MLOGP
-2.31
XLogP3
-2.62
Consensus LogP
-2.52
Log S (ESOL)
0.92
Class (ESOL)
Highly soluble
Log S (Ali)
1.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.58
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45
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)
Irritant
Environmental Hazard
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H332 (12.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H400 (93.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (60.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H411 (12.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H302: Harmful if swallowed [Warning Acute toxicity, oral]