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CAS 1427379-23-4 (2-Bromo-4-chlorophenyl)methanesulfonyl chloride molecular structure lightbox
CAS RN: 1427379-23-4

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride

  • Product code: SSC-053685
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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 1427379-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1427379-23-4 / (2-bromo-4-chlorophenyl)methanesulfonyl chloride

Standard CAS: 1427379-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1427379-23-4
Multi CAS
No
Molecular Formula
C7H5BrCl2O2S
Molecular Weight
303.990000
Exact Mass
301.857070
SMILES
C1=CC(=C(C=C1Cl)Br)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5BrCl2O2S/c8-7-3-6(9)2-1-5(7)4-13(10,11)12/h1-3H,4H2
InChIKey
AIGZXSHFFZCBBF-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
57.63
TPSA
34.14

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.2
Consensus LogP
3.06
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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