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CAS 101-92-8 4′-Chloroacetoacetanilide molecular structure lightbox
CAS RN: 101-92-8

4′-Chloroacetoacetanilide

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260325 100g In stock Inquiry
Batchno.20250707 25g In stock Inquiry
Batchno.20250530 500g In stock Inquiry
  • Product code: SSC-001837
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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 101-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

101-92-8 / N-(4-chlorophenyl)-3-oxobutanamide

4'-Chloroacetoacetanilide | N-(4-Chlorophenyl)-3-oxobutanamide | P-CHLOROACETOACETANILIDE

Standard CAS: 101-92-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-92-8
Multi CAS
Yes
Molecular Formula
C10H10ClNO2
Molecular Weight
211.640000
Exact Mass
211.040006
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChIKey
JMRJWEJJUKUBEA-UHFFFAOYSA-N
Synonyms
4'-Chloroacetoacetanilide N-(4-Chlorophenyl)-3-oxobutanamide P-CHLOROACETOACETANILIDE Butanamide, N-(4-chlorophenyl)-3-oxo- Acetoacet-p-chloroanilide

Physical Properties

Melting Point
66-67 °C
Physical Description
Solid; [HSDB]
Appearance
CRYSTALS FROM ETHER, ALCOHOL
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.38
TPSA
46.17

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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