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CAS 163295-74-7 (3,5-difluorophenyl)methanesulfonyl chloride molecular structure lightbox
CAS RN: 163295-74-7

(3,5-difluorophenyl)methanesulfonyl chloride

  • Product code: SSC-070946
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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: ≥95%
  • 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 163295-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

163295-74-7 / (3,5-difluorophenyl)methanesulfonyl chloride

Standard CAS: 163295-74-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163295-74-7
Multi CAS
No
Molecular Formula
C7H5ClF2O2S
Molecular Weight
226.630000
Exact Mass
225.966685
SMILES
C1=C(C=C(C=C1F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey
VJJZLXRMDXUBPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.83
TPSA
34.14

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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