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CAS 12093-10-6 Ferrocenecarboxaldehyde molecular structure lightbox
CAS RN: 12093-10-6

Ferrocenecarboxaldehyde

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 100g In stock Shanghai Inquiry
Batchno.20251106 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250518 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260415 1kg In stock Shanghai Inquiry
Batchno.20250420 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250403 500g In stock Shanghai Inquiry
Batchno.20260610 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-022240
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 12093-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
10g >98% 4 In Stock Shanghai Inquiry
5g >98% 0 Out of Stock Beijing Inquiry
25g >98% 0 Out of Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

12093-10-6 / cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbaldehyde;iron(2+)

Ferrocenecarboxaldehyde (8CI) | cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanolate;iron(2+) | ferrocene-aldehyde

Standard CAS: 12093-10-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12093-10-6
Multi CAS
Yes
Molecular Formula
C11H10FeO
Molecular Weight
214.040000
Exact Mass
214.008100
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1C=O.[Fe+2]
InChI
InChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2
InChIKey
MQHZGUNMWQBVDK-UHFFFAOYSA-N
Synonyms
Ferrocenecarboxaldehyde (8CI) cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanolate;iron(2+) ferrocene-aldehyde SCHEMBL29504214 SCHEMBL30787929

Physical Properties

Physical Description
Red-brown solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.46
TPSA
17.07

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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