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Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt

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Name

Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt

EINECS N/A
CAS No. 64050-44-8 Density g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C14H13 N O4 S . Na Boiling Point 509°Cat760mmHg
Molecular Weight 313.32 Flash Point 261.6°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 64050-44-8 (4-[[(Phenylmethyl)sulfonyl]amino]benzoic acid sodium salt) Hazard Symbols N/A
Synonyms

Benzoicacid, 4-[[(phenylmethyl)sulfonyl]amino]-, monosodium salt (9CI)

 

Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt Chemical Properties

IUPAC Name: sodium 4-(benzylsulfonylamino)benzoate
Molecular Formula: C14H12NNaO4S
Molecular Weight: 313.304150 g/mol 
Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)[O-].[Na+]
InChI: InChI=1S/C14H13NO4S.Na/c16-14(17)12-6-8-13(9-7-12)15-20(18,19)10-11-4-2-1-3-5-11;/h1-9,15H,10H2,(H,16,17);/q;+1/p-1 
Mol File: 64050-44-8.mol
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 313.038473
MonoIsotopic Mass: 313.038473
Topological Polar Surface Area: 86.3
Heavy Atom Count: 21
Complexity: 421
Classification Code: Drug / Therapeutic Agent
Flash Point: 261.6 °C
Enthalpy of Vaporization: 82.07 kJ/mol
Boiling Point: 509 °C at 760 mmHg 
Vapour Pressure of Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8): 3.48E-11 mmHg at 25 °C

Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1693mg/kg (1693mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947.
mouse LD50 intravenous 1300mg/kg (1300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947.
mouse LD50 oral 2450mg/kg (2450mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: EXCITEMENT
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947.
mouse LD50 subcutaneous 1650mg/kg (1650mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: EXCITEMENT
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947.
rabbit LD50 intravenous 1419mg/kg (1419mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 263, 1947.

Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt Safety Profile

Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8) emits very toxic fumes of SOx, Na2O, and NOx.

Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt Specification

   Benzoic acid, p-alpha-toluenesulfonamido-, sodium salt (CAS NO.64050-44-8) can be called 4'-Carboxyphenylmethanesulfonanilide, sodium salt .  

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