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CAS 1271-19-8 Titanocene Dichloride molecular structure lightbox
CAS RN: 1271-19-8

Titanocene Dichloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250202 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250701 500g In stock Shanghai Inquiry
  • Product code: SSC-034616
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ＞98%
  • Inventory rows with stock: 5
  • 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 1271-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞98% 5 In Stock Shenzhen Inquiry
10g ＞98% 5 In Stock Shanghai Inquiry
25g ＞98% 5 In Stock Shanghai Inquiry
100g ＞98% 5 In Stock Shenzhen Inquiry
500g ＞98% 5 In Stock Shanghai Inquiry

1271-19-8 / bis(cyclopenta-1,3-diene);titanium(4+);dichloride

Standard CAS: 1271-19-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1271-19-8
Multi CAS
No
Molecular Formula
C10H10Cl2Ti
Molecular Weight
248.960000
Exact Mass
247.963896
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+4]
InChI
InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKey
YMNCCEXICREQQV-UHFFFAOYSA-L

Physical Properties

Melting Point
552 °F (NTP, 1992) 289 °C +/- 2 deg
Density
1.6 (NTP, 1992) - Denser than water; will sink 1.60
Physical Description
Titanocene dichloride appears as red to red-orange crystals. (NTP, 1992) Bright red or reddish-orange solid; [HSDB] Red or orange odorless crystalline solid
Appearance
Bright red acicular crystals from toluene Reddish-orange crystalline solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
Molar refractivity
44.07
TPSA
0.0000

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.8
XLogP3
-3.18
Consensus LogP
-3.05
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.36
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)
-6.5

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)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (64.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (35%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (62.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (12.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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