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CAS 120983-72-4 2-Chloro-1-(1-chlorocyclopropyl)ethanone molecular structure lightbox
CAS RN: 120983-72-4

2-Chloro-1-(1-chlorocyclopropyl)ethanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-022317
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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
  • 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 120983-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

120983-72-4 / 2-chloro-1-(1-chlorocyclopropyl)ethanone

2-chloro-1-(1-chlorocyclopropyl)ethanone | Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- | DTXSID50888254

Standard CAS: 120983-72-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120983-72-4
Multi CAS
No
Molecular Formula
C5H6Cl2O
Molecular Weight
153.000000
Exact Mass
151.979570
SMILES
C1CC1(C(=O)CCl)Cl
InChI
InChI=1S/C5H6Cl2O/c6-3-4(8)5(7)1-2-5/h1-3H2
InChIKey
VHHGLRZRRBYTNE-UHFFFAOYSA-N
Synonyms
2-chloro-1-(1-chlorocyclopropyl)ethanone Ethanone, 2-chloro-1-(1-chlorocyclopropyl)- DTXSID50888254 RefChem:592568 DTXCID601027534

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.55
TPSA
17.07

LogP / Solubility

WLOGP
1.57
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-2.54

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 Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin] H330 (95%): Fatal if inhaled [Danger Acute toxicity, inhalation] H341 (95%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P320, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501

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