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Cas Database |
| Name |
5-Nitro-2-furaldehyde thiosemicarbazone |
EINECS | N/A |
| CAS No. | 831-71-0 | Density | 1.68g/cm3 |
| PSA | 141.46000 | LogP | 1.96930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H6N4O3S | Boiling Point | 381.6°Cat760mmHg |
| Molecular Weight | 214.205 | Flash Point | 184.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ALDEHYDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
SHCH-49;5-Nitrofurfural thiosemicarbazone;5-nitrofurancarboxaldehyde thiosemicarbazone;USAF EA-14;5-Nitro-2-furfural-thiosemicarbazon;5-Nitro-2-furfurylidene thiosemicarbazone;Benzazon VII;5-Nitro-furfural-thiosemicarbazon;5-Nitro-2-furfural thiosemicarbazone;5-Nitro-2-furaldehyde thiosemicarbazone;5-Nitro-2-furanaldehydthiosemicarbazon;Benzazone-VII;5-nitro-furan-2-carbaldehyde thiosemicarbazone; |
Article Data | 16 |
5-Nitro-2-furaldehyde thiosemicarbazone Chemical Properties
Product Name: 5-Nitro-2-furaldehyde thiosemicarbazone (CAS NO.831-71-0)
Molecular Formula: C6H6N4O3S
Molecular Weight: 214.2g/mol
Mol File: 831-71-0.mol
Boiling point: 381.6 °C at 760 mmHg
Flash Point: 184.6 °C
Density: 1.68g/cm3
Surface Tension: 72 dyne/cm
Enthalpy of Vaporization: 62.99 kJ/mol
Vapour Pressure: 5.01E-06 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=S)N
Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=S)N
InChI: InChI=1S/C6H6N4O3S/c7-6(14)9-8-3-4-1-2-5(13-4)10(11)12/h1-3H,(H3,7,9,
14)/b8-3+
InChIKey: XWUHTDIIQSYUDH-FPYGCLRLSA-N
5-Nitro-2-furaldehyde thiosemicarbazone Toxicity Data With Reference
| 1. | mmo-sat 125 µg/L | CHABA8 Chemical Abstracts. 93 (1980),108591c. | ||
| 2. | dnr-esc 10 mg/L | FOMIAZ Folia Microbiologica (Prague). (Academia, Vodickova 40, CS-112 29 Prague 1, 25 (1980),388. | ||
| 3. | orl-mus LD50:1500 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 39 (1950),313. | ||
| 4. | ipr-mus LD50:50 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. AD277-689 . |
5-Nitro-2-furaldehyde thiosemicarbazone Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ALDEHYDES.
5-Nitro-2-furaldehyde thiosemicarbazone Specification
5-Nitro-2-furaldehyde thiosemicarbazone ,its CAS NO. is 831-71-0,the synonyms is 5-Nitro-2-furfural thiosemicarbazone ; 5-Nitro-2-furfurylidene thiosemicarbazone ; 5-Nitrofurfural thiosemicarbazone ; AI3-62410 ; Benzazon VII ; NSC 6458 ; SHCH-49 ; USAF EA-14 ; 2-Furaldehyde, 5-nitro-, thiosemicarbazone ; Hydrazinecarbothioamide, 2-((5-nitro-2-furanyl)methylene)- (9CI) .
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