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CAS 106-75-2 Oxydiethylene bis(chloroformate) molecular structure lightbox
CAS RN: 106-75-2

Oxydiethylene bis(chloroformate)

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100g In stock Shanghai Inquiry
Batchno.20250512 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250101 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS106-75-2
  • Purity/Analytical Methods: >99.0%
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106-75-2 / 2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate

Oxydiethylene bis(chloroformate) | Diglycol chlorformate | Diglycol chloroformate

Standard CAS: 106-75-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-75-2
Multi CAS
No
Molecular Formula
C6H8Cl2O5
Molecular Weight
231.030000
Exact Mass
229.974879
SMILES
C(COC(=O)Cl)OCCOC(=O)Cl
InChI
InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2
InChIKey
XFSAZBKSWGOXRH-UHFFFAOYSA-N
Synonyms
Oxydiethylene bis(chloroformate) Diglycol chlorformate Diglycol chloroformate Oxydiethylene chloroformate Diethylene glycol chloroformate

Physical Properties

Boiling Point
127 °C AT 5 MM HG
Physical Description
Liquid Liquid; [HSDB] Clear yellow viscous liquid
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
45.22
TPSA
61.83

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
2
Consensus LogP
1.77
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-2.88

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)
Corrosive Irritant Environmental Hazard Acute Toxic
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H315: Causes skin irritation [Warning Skin corrosion/irritation] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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