[email protected]
CAS 3839-48-3 2-Chlorotropone molecular structure lightbox
CAS RN: 3839-48-3

2-Chlorotropone

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250904 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250921 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260204 5g In stock Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 1g In stock Shanghai, Shandong Inquiry
Batchno.20260226 250mg In stock Shandong, Chongqing Inquiry
  • Product code: SSC-146020
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 3839-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

3839-48-3 / 2-chlorobenzaldehyde

Standard CAS: 3839-48-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3839-48-3
Multi CAS
Yes
Molecular Formula
C7H5CLO
Molecular Weight
140.560000
Exact Mass
140.002893
InChI
InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N

Physical Properties

Melting Point
54.3 °F (NTP, 1992) 11.9 °C 12.4 °C
Boiling Point
413.4 °F at 760 mmHg (NTP, 1992) 212 °C 211.9 °C
Density
1.248 at 68 °F (NTP, 1992) - Denser than water; will sink 1.2483 g/cu cm at 20 °C BP range: 209-214 °C; density: 1.240-1.245 at 25 °C/25 °C. Soluble in alcohol, ether, acetone; insoluble in water /Chlorobenzaldehyde/ 1.25 g/cm³
Physical Description
2-chlorobenzaldehyde is a clear colorless to yellowish liquid. (NTP, 1992) Liquid Colorless to yellow liquid; mp = 12.4 deg C; [ICSC] COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR.
Appearance
Colorless to yellowish liquid Needles Liquid or needles
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.84
TPSA
17.07

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.05

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

Customers Also Viewed

Get In Touch

Contact Us