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CAS 918-00-3 1,1,1-Trichloroacetone molecular structure lightbox
CAS RN: 918-00-3

1,1,1-Trichloroacetone

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-205243
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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: 1g, 5g, 10g, 25g
  • 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 918-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

918-00-3 / 1,1,1-trichloropropan-2-one

Standard CAS: 918-00-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
918-00-3
Multi CAS
No
Molecular Formula
C3H3CL3O
Molecular Weight
161.410000
Exact Mass
159.924948
InChI
InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChIKey
SMZHKGXSEAGRTI-UHFFFAOYSA-N

Physical Properties

Boiling Point
149 °C
Density
1.435 g/cu cm at 20 °C

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
30.97
TPSA
17.07

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.32

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

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