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CAS 14064-10-9 Diethyl 2-Chloromalonate molecular structure lightbox
CAS RN: 14064-10-9

Diethyl 2-Chloromalonate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250115 10g In stock Shanghai Inquiry
Batchno.20260112 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250621 500g In stock Shanghai Inquiry
Batchno.20250113 5g In stock Shanghai Inquiry
  • Product code: SSC-051182
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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: 100g
  • Available purity: ≥95%
  • 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 14064-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

14064-10-9 / diethyl 2-chloropropanedioate

Standard CAS: 14064-10-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14064-10-9
Multi CAS
No
Molecular Formula
C7H11ClO4
Molecular Weight
194.610000
Exact Mass
194.034587
SMILES
CCOC(=O)C(C(=O)OCC)Cl
InChI
InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey
WLWCQKMQYZFTDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
42.91
TPSA
52.6

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
1.6
Consensus LogP
0.98
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.4

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 Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (95.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (95.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501

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