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
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
627-11-2 / 2-chloroethyl carbonochloridate
Basic Information
CAS
627-11-2
Multi CAS
No
Molecular Formula
C3H4CL2O2
Molecular Weight
142.970000
Exact Mass
141.958835
InChI
InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
InChIKey
SVDDJQGVOFZBNX-UHFFFAOYSA-N
Physical Properties
Boiling Point
312.3 °F at 760 mmHg (EPA, 1998)
155 °C
Density
1.3847 (EPA, 1998) - Denser than water; will sink
1.3847 @ 20 °C/4 °C
Physical Description
Chloroethyl chloroformate is a liquid. (EPA, 1998)
Colorless liquid; [HSDB] Clear colorless liquid
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
27.92
TPSA
26.3
LogP / Solubility
WLOGP
1.6
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.46
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
