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CAS 1092349-98-8 2-Fluoro-3-Methylbenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 1092349-98-8

2-Fluoro-3-Methylbenzenesulfonyl Chloride

  • Product code: SSC-010374
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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 1092349-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1092349-98-8 / 2-fluoro-3-methylbenzenesulfonyl chloride

2-fluoro-3-methylbenzene-1-sulfonyl chloride | RefChem:472257 | 850-156-6

Standard CAS: 1092349-98-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092349-98-8
Multi CAS
No
Molecular Formula
C7H6ClFO2S
Molecular Weight
208.640000
Exact Mass
207.976107
SMILES
CC1=C(C(=CC=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H6ClFO2S/c1-5-3-2-4-6(7(5)9)12(8,10)11/h2-4H,1H3
InChIKey
MQSQFPZVCHUKJH-UHFFFAOYSA-N
Synonyms
2-fluoro-3-methylbenzene-1-sulfonyl chloride RefChem:472257 850-156-6 2-Fluoro-3-methylbenzenesulfonyl chloride MFCD11036242

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.18
TPSA
34.14

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.53

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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