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| CAS No.: | 57-67-0 |
|---|---|
| Name: | Sulfaguanidine |
| Molecular Structure: | |
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| Formula: | C7H10N4O2S |
| Molecular Weight: | 214.248 |
| Synonyms: | Sulfanilamide,N1-(diaminomethylene)- (7CI);1-Sulfanilylguanidine;1-[(p-Aminophenyl)sulfonyl]guanidine;4-Amino-N-(aminoiminomethyl)benzenesulfonamide;4-Amino-N-carbamimidoylbenzenesulfonamide;4-Aminophenylsulfonylguanidine;Abiguanil;Aterian;Diacta;Emerin(pharmaceutical);Ganidan;Guamide;Guanidan;Orgaguanidon;Ruocid;Sulfaguanidine;Sulfaguanil;Sulfaguine;Sulfanilylguanidine;Sulfoguanidine;Sulfoguanyl;Sulfoguenil;[(p-Aminophenyl)sulfonyl]guanidine;p-Aminobenzenesulfonylguanidine; |
| EINECS: | 200-345-9 |
| Density: | 1.62 g/cm3 |
| Melting Point: | 190-193 °C |
| Boiling Point: | 488.4 °C at 760 mmHg |
| Flash Point: | 249.2 °C |
| Solubility: | 1g/L in water at 25 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3249 6.1/PG 3 |
| PSA: | 130.44000 |
| LogP: | 2.29350 |
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Consensus Reports
Specification
The Benzenesulfonamide,4-amino-N-(aminoiminomethyl)-, with the CAS registry number 57-67-0, is also known as 4-Aminophenylsulfonylguanidine. It belongs to the product categories of Antibiotics for Research and Experimental Use; Biochemistry; Sulfonamides (Antibiotics for Research and Experimental Use); Antibacterial; Antibiotics ;Chemical Structure Class; Inhibits an Enzyme Antibiotics; Interferes with DNA SynthesisSpectrum of Activity; L - Z Antibiotics; Mechanism of Action; Sulfonamides. Its EINECS number is 200-345-9. This chemical's molecular formula is C7H10N4O2S and molecular weight is 214.24. What's more, its systematic name is 4-amino-N-(diaminomethylidene)benzenesulfonamide. Its classification codes are: (1)Anti-infective agents; (2)Drug / Therapeutic Agent; (3)Mutation data; (4)Reproductive Effect. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It can be prepared by sulfanilamide and guanidine nitrate. It is used in biochemistry research and it is a sulfanilamide antimicrobial agent that is used to treat enteric infections.
Physical properties of Benzenesulfonamide,4-amino-N-(aminoiminomethyl)- are: (1)ACD/LogP: -0.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.47; (8)ACD/KOC (pH 7.4): 8.48; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.6 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 50.8 cm3; (15)Molar Volume: 132.1 cm3; (16)Polarizability: 20.14×10-24cm3; (17)Surface Tension: 77.6 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 249.2 °C; (20)Enthalpy of Vaporization: 75.45 kJ/mol; (21)Boiling Point: 488.4 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-09 mmHg at 25°C.
Uses of Benzenesulfonamide,4-amino-N-(aminoiminomethyl)-: it can be used to produce N-(4-carbamimidoylsulfamoyl-phenyl)-succinamic acid. It will need solvent acetone. The yield is about 93%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(/N=C(\N)N)c1ccc(N)cc1
(2)Std. InChI: InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
(3)Std. InChIKey: BRBKOPJOKNSWSG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 20gm/kg (20000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(3), Pg. 11, 1966. | |
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | Bulletin of the Johns Hopkins Hospital. Vol. 67, Pg. 163, 1940. |