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CAS 1208075-25-5 2-Chloro-6-fluorobenzenesulfonyl chloride molecular structure lightbox
CAS RN: 1208075-25-5

2-Chloro-6-fluorobenzenesulfonyl chloride

  • Product code: SSC-022101
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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 1208075-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1208075-25-5 / 2-chloro-6-fluorobenzenesulfonyl chloride

2-Chloro-6-fluorobenzene-1-sulfonyl chloride | DTXSID60679236 | RefChem:259098

Standard CAS: 1208075-25-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208075-25-5
Multi CAS
No
Molecular Formula
C6H3Cl2FO2S
Molecular Weight
229.060000
Exact Mass
227.921484
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)F
InChI
InChI=1S/C6H3Cl2FO2S/c7-4-2-1-3-5(9)6(4)12(8,10)11/h1-3H
InChIKey
FJSIDPINTJZFNS-UHFFFAOYSA-N
Synonyms
2-Chloro-6-fluorobenzene-1-sulfonyl chloride DTXSID60679236 RefChem:259098 DTXCID30629985 855-871-7

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.45
TPSA
34.14

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.41

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

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