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2200-44-4

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Basic Information
CAS No.: 2200-44-4
Name: sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate
Molecular Structure:
Molecular Structure of 2200-44-4 (sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate)
Formula: C11H13 N3 O3 S . Na
Molecular Weight: 290.32
Synonyms: Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, monosodium salt (9CI); Sodium,[N1-(3,4-dimethyl-5-isoxazolyl)sulfanilamido]- (7CI); Sulfanilamide,N1-(3,4-dimethyl-5-isoxazolyl)-, monosodium salt (8CI); Sulfanilamide,N1-3,4-dimethyl-5-isoxazolyl-, sodium deriv. (6CI); Sodium sulfisoxazole;Sulfisoxazole sodium salt
Density: 1.411g/cm3
Melting Point: 194oC
Boiling Point: 482.2°Cat760mmHg
Flash Point: 245.4°C
Safety: Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
PSA: 106.93000
LogP: 2.38740
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  • Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, sodium salt (1:1)

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    2200-44-4

    Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, sodium salt (1:1)

    Min.Order: 10 Gram

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  • Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, sodium salt (1:1)

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    2200-44-4

    Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-, sodium salt (1:1)

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

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Chemistry

Molecule structure of N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt (CAS NO.2200-44-4):

IUPAC Name: Sodium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide 
Molecular Weight: 289.28605 g/mol
Molecular Formula: C11H12N3NaO3S 
EINECS: 218-607-6
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 289.049707
MonoIsotopic Mass: 289.049707
Topological Polar Surface Area: 87.2
Heavy Atom Count: 19
Complexity: 379
Canonical SMILES: CC1=C(ON=C1C)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
InChI: InChI=1S/C11H12N3O3S.Na/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1
InChIKey of N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt (CAS NO.2200-44-4): XGZAZJYPRJGHIG-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1 g/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 88 (1946),47.
2.    

ipr-rat LD50:3200 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 88 (1946),47.
3.    

orl-mus LD50:1 g/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 88 (1946),47.
4.    

ivn-mus LD50:2300 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 88 (1946),47.

Safety Profile

Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.

Specification

 N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt (CAS NO.2200-44-4) is also named as Sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate ; Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-, sodium salt .