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121-58-4

Basic Information
CAS No.: 121-58-4
Name: 4-(dimethylamino)benzenesulphonic acid
Article Data: 45
Molecular Structure:
Molecular Structure of 121-58-4 (4-(dimethylamino)benzenesulphonic acid)
Formula: C8H11 N O3 S
Molecular Weight: 201.246
Synonyms: Sulfanilicacid, N,N-dimethyl- (6CI,7CI,8CI); 4-(Dimethylamino)benzenesulfonic acid;N,N-Dimethylsulfanilic acid; NSC 3540; p-(Dimethylamino)benzenesulfonic acid
Density: 1.339g/cm3
Melting Point: 270.5°C
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 65.99000
LogP: 2.08010
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Chemistry

Product Name: N,N-Dimethylsulfanilic acid (CAS NO.121-58-4)


Molecular Formula: C8H11NO3S
Molecular Weight: 201.24284g/mol
Mol File: 121-58-4.mol
Einecs: 204-483-0
Density: 1.339g/cm3
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of N,N-Dimethylsulfanilic acid (CAS NO.121-58-4):
  IUPAC Name: 4-(dimethylamino)benzenesulfonic acid
  Canonical SMILES: CN(C)C1=CC=C(C=C1)S(=O)(=O)O
  InChI: InChI=1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12) 
  InChIKey: KZVBBVPCVQEVQK-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

par-mus LDLo:4000 mg/kg

    CBCCT*    “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 7 (1955),695.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 N,N-Dimethylsulfanilic acid ,its CAS NO. is 121-58-4,the synonyms is  AI3-17668 ; EINECS 204-483-0 ; NSC 3540 ; 4-(Dimethylamino)benzenesulphonic acid ; Benzenesulfonic acid, 4-(dimethylamino)- ; Sulfanilic acid, N,N-dimethyl- (8CI) .