CAS RN: 17341-93-4
2,2,2-Trichloroethyl Chloroformate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250731 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250411 | 2.5kg | In stock | Shandong | Inquiry |
| Batchno.20260614 | 25g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20251116 | 500g | In stock | Shandong, Chongqing | Inquiry |
| Batchno.20250105 | 5g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTC0795
- Purity/Analytical Methods: >98.0%(GC)
17341-93-4 / 2,2,2-trichloroethyl carbonochloridate
Basic Information
CAS
17341-93-4
Multi CAS
No
Molecular Formula
C3H2Cl4O2
Molecular Weight
211.900000
Exact Mass
211.877940
SMILES
C(C(Cl)(Cl)Cl)OC(=O)Cl
InChI
InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2
InChIKey
LJCZNYWLQZZIOS-UHFFFAOYSA-N
Physical Properties
Physical Description
Light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.49
TPSA
26.3
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.07
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
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H330 (15.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
H331 (83%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501
