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CAS 13709-42-7 Neodymium trifluoride molecular structure lightbox
CAS RN: 13709-42-7

Neodymium trifluoride

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  • Product code: starshine_CAS13709-42-7
  • Purity/Analytical Methods: >99.0%
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13709-42-7 / trifluoroneodymium

Standard CAS: 13709-42-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13709-42-7
Multi CAS
No
Molecular Formula
F3Nd
Molecular Weight
201.240000
Exact Mass
198.902940
SMILES
F[Nd](F)F
InChI
InChI=1S/3FH.Nd/h3*1H;/q;;;+3/p-3
InChIKey
XRADHEAKQRNYQQ-UHFFFAOYSA-K

Physical Properties

Physical Description
Pink solid; Insoluble in water; [Hawley]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
3
Molar refractivity
3.32
TPSA
0.0000

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.05

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (82.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (80.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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