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CAS 1284-72-6 BIS(CYCLOPENTADIENYL)MAGNESIUM molecular structure lightbox
CAS RN: 1284-72-6

BIS(CYCLOPENTADIENYL)MAGNESIUM

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3 package records1 with current stock1 grade group
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Batchno.20250816 1g In stock Inquiry
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  • Product code: starshine_CAS1284-72-6
  • Purity/Analytical Methods: >99.0%
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1284-72-6 / magnesium bis(cyclopenta-1,3-diene)

Standard CAS: 1284-72-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1284-72-6
Multi CAS
No
Molecular Formula
C10H10Mg
Molecular Weight
154.490000
Exact Mass
154.063292
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Mg+2]
InChI
InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey
WGESBNRUPISICS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
49.82
TPSA
0.0000

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.43
Consensus LogP
2.33
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H228 (72%): Flammable solid [Danger Flammable solids] H250 (99.2%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids] H260 (17.4%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H261 (78%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P222, P223, P231, P231+P232, P233, P240, P241, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P405, and P501

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