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CAS 1648-99-3 2,2,2-TRIFLUOROETHANESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 1648-99-3

2,2,2-TRIFLUOROETHANESULFONYL CHLORIDE

  • Product code: SSC-072033
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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
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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 1648-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1648-99-3 / 2,2,2-trifluoroethanesulfonyl chloride

Standard CAS: 1648-99-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1648-99-3
Multi CAS
No
Molecular Formula
C2H2ClF3O2S
Molecular Weight
182.550000
Exact Mass
181.941613
SMILES
C(C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
InChIKey
CXCHEKCRJQRVNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
25.69
TPSA
34.14

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.5
Consensus LogP
1.2
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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