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CAS 1271-55-2 Acetylferrocene molecular structure lightbox
CAS RN: 1271-55-2

Acetylferrocene

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251020 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 100g In stock Shanghai, Chengdu Inquiry
Batchno.20251020 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250116 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20260620 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-034622
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Historical Factory Record

Historical Supply Reference

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.

  • Pack sizes on record: 25g, 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1271-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

1271-55-2 / cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-ylethanone;iron(2+)

Standard CAS: 1271-55-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1271-55-2
Multi CAS
No
Molecular Formula
C12H12FeO
Molecular Weight
228.070000
Exact Mass
228.023751
SMILES
CC(=O)C1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2
InChIKey
SPKJCVZOZISLEI-UHFFFAOYSA-N

Physical Properties

Physical Description
Orange crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.07
TPSA
17.07

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.97

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)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300+H310+H330 (33.3%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (34.5%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (11.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H330 (33.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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