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CAS 1099660-60-2 2-Bromo-4-nitrobenzenesulphonyl chloride molecular structure lightbox
CAS RN: 1099660-60-2

2-Bromo-4-nitrobenzenesulphonyl chloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 1g In stock Shanghai Inquiry
Batchno.20260314 250mg In stock Shanghai Inquiry
Batchno.20260619 5g In stock Shanghai Inquiry
  • Product code: SSC-011222
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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 1099660-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1099660-60-2 / 2-bromo-4-nitrobenzenesulfonyl chloride

2-bromo-4-nitrobenzene-1-sulfonyl chloride | RefChem:466607 | 980-714-5

Standard CAS: 1099660-60-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1099660-60-2
Multi CAS
No
Molecular Formula
C6H3BrClNO4S
Molecular Weight
300.510000
Exact Mass
298.865470
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrClNO4S/c7-5-3-4(9(10)11)1-2-6(5)14(8,12)13/h1-3H
InChIKey
LPFIRAAVBJJUKL-UHFFFAOYSA-N
Synonyms
2-bromo-4-nitrobenzene-1-sulfonyl chloride RefChem:466607 980-714-5 2-Bromo-4-nitrobenzenesulphonyl chloride MFCD11650638

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.84
TPSA
77.28

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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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