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CAS 121-60-8 4-Acetamidobenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 121-60-8

4-Acetamidobenzenesulfonyl Chloride

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260520 100g In stock Inquiry
Batchno.20251022 1kg In stock Inquiry
Batchno.20250512 250g In stock Inquiry
Batchno.20250822 25g In stock Inquiry
Batchno.20250914 500g In stock Inquiry
Batchno.20250329 50g In stock Inquiry
Batchno.20260206 5kg In stock Inquiry
  • Product code: SSC-022345
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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: 500g
  • 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 121-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shanghai Inquiry

121-60-8 / 4-acetamidobenzenesulfonyl chloride

N-Acetylsulfanilyl chloride | 4-Acetamidobenzenesulfonyl chloride | 4-Acetamidobenzene-1-Sulfonyl Chloride

Standard CAS: 121-60-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121-60-8
Multi CAS
Yes
Molecular Formula
C8H8ClNO3S
Molecular Weight
233.670000
Exact Mass
232.991342
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
GRDXCFKBQWDAJH-UHFFFAOYSA-N
Synonyms
N-Acetylsulfanilyl chloride 4-Acetamidobenzenesulfonyl chloride 4-Acetamidobenzene-1-Sulfonyl Chloride 4-(ACETYLAMINO)BENZENESULFONYL CHLORIDE Dagenan chloride

Physical Properties

Melting Point
149 °C
Physical Description
Dry Powder Light tan solid; [Merck Index] Off-white powder
Appearance
NEEDLES FROM BENZENE; PRISMS FROM BENZENE-CHLOROFORM THICK, LIGHT TAN PRISMS FROM BENZENE LIGHT TAN TO BROWNISH POWDER OR FINE CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
63.24

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.03

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 Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (47.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (26.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (50.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (50.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P391, P403+P233, P405, and P501

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