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CAS 121-47-1 3-Aminobenzenesulfonic Acid molecular structure lightbox
CAS RN: 121-47-1

3-Aminobenzenesulfonic Acid

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250218 100g In stock Inquiry
Batchno.20250111 2.5kg In stock Inquiry
Batchno.20250426 250g In stock Inquiry
Batchno.20260619 25g In stock Inquiry
Batchno.20260114 500g In stock Inquiry
  • Product code: SSC-022340
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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 121-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shanghai Inquiry

121-47-1 / 3-aminobenzenesulfonic acid

Metanilic acid | 3-AMINOBENZENESULFONIC ACID | m-Aminobenzenesulfonic acid

Standard CAS: 121-47-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121-47-1
Multi CAS
Yes
Molecular Formula
C6H7NO3S
Molecular Weight
173.190000
Exact Mass
173.014664
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N
InChI
InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey
ZAJAQTYSTDTMCU-UHFFFAOYSA-N
Synonyms
Metanilic acid 3-AMINOBENZENESULFONIC ACID m-Aminobenzenesulfonic acid Benzenesulfonic acid, 3-amino- m-Sulfanilic acid

Physical Properties

Melting Point
Decomposes without melting (NTP, 1992)
Density
1.69 (NTP, 1992) - Denser than water; will sink
Physical Description
3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic. Dry Powder Colorless or white solid; [CAMEO] Light brown powder
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.67
TPSA
80.39

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
-0.2
Consensus LogP
0.26
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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