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CAS 1694-29-7 3-Chloroacetylacetone molecular structure lightbox
CAS RN: 1694-29-7

3-Chloroacetylacetone

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100g In stock Inquiry
Batchno.20260627 25g In stock Inquiry
Batchno.20260406 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 100g In stock Shanghai, Shandong Inquiry
Batchno.20251025 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250304 500g In stock Shandong Inquiry
Batchno.20260501 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-073974
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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: ≥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 1694-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1694-29-7 / 3-chloropentane-2,4-dione

Standard CAS: 1694-29-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1694-29-7
Multi CAS
No
Molecular Formula
C5H7ClO2
Molecular Weight
134.560000
Exact Mass
134.013457
SMILES
CC(=O)C(C(=O)C)Cl
InChI
InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKey
VLRGXXKFHVJQOL-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear brown-yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31
TPSA
34.14

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-2.99

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 Irritant
Signal
Warning
GHS Hazard Statements
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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