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CAS 99-91-2 4′-Chloroacetophenone molecular structure lightbox
CAS RN: 99-91-2

4′-Chloroacetophenone

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 100g In stock Inquiry
Batchno.20250524 2.5kg In stock Inquiry
Batchno.20260102 25g In stock Inquiry
Batchno.20250127 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100g In stock Shanghai, Shandong Inquiry
Batchno.20260526 2.5kg In stock Shandong Inquiry
Batchno.20260504 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250914 500g In stock Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 25g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-212954
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 5 In Stock Shenzhen Inquiry
1000g ≥98% 5 In Stock Beijing Inquiry

99-91-2 / 1-(4-chlorophenyl)ethanone

Standard CAS: 99-91-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99-91-2
Multi CAS
Yes
Molecular Formula
C8H7CLO
Molecular Weight
154.590000
Exact Mass
154.018543
InChI
InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey
BUZYGTVTZYSBCU-UHFFFAOYSA-N

Physical Properties

Melting Point
20-21 °C
Boiling Point
237 °C
Density
1.1922 @ 20 °C/4 °C
Physical Description
Liquid; [Merck Index] Colorless liquid
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.46
TPSA
17.07

LogP / Solubility

WLOGP
2.54
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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