-
Name
sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate
- EINECS
- CAS No. 2200-44-4
- Density 1.411g/cm3
- Solubility
- Melting Point 194oC
- Formula C11H13 N3 O3 S . Na
- Boiling Point 482.2°Cat760mmHg
- Molecular Weight 290.32
- Flash Point 245.4°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 106.93000
- LogP 2.38740
N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt Chemical Properties
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
N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt 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. |
N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt Safety Profile
Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide sodium salt 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 .
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