[email protected]
CAS 616-23-9 2,3-Dichloro-1-propanol molecular structure lightbox
CAS RN: 616-23-9

2,3-Dichloro-1-propanol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260527 1g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20260521 25g In stock Shanghai, Chongqing Inquiry
Batchno.20250718 5g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: ICTD0403
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

616-23-9 / 2,3-dichloropropan-1-ol

Standard CAS: 616-23-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
616-23-9
Multi CAS
No
Molecular Formula
C3H6CL2O
Molecular Weight
128.980000
Exact Mass
127.979570
InChI
InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKey
ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
361 to 365 °F at 760 mmHg (NTP, 1992) 183-185 °C
Density
1.3607 at 68 °F (NTP, 1992) - Denser than water; will sink 1.3607 @ 20 °C/4 °C
Physical Description
2,3-dichloro-1-propanol is a viscous colorless to amber liquid with an ethereal odor. (NTP, 1992) Liquid Colorless to amber liquid with an ethereal odor; [CAMEO]
Appearance
VISCOUS LIQ
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.45
TPSA
20.23

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-2.92

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
2

Customers Also Viewed

Get In Touch

Contact Us