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Cas Database |
| Name |
Benzaldehyde thiosemicarbazone |
EINECS | N/A |
| CAS No. | 1627-73-2 | Density | 1.21g/cm3 |
| PSA | 82.50000 | LogP | 1.94490 |
| Solubility | N/A | Melting Point |
154 °C |
| Formula | C8H9 N3 S | Boiling Point | 316.5°Cat760mmHg |
| Molecular Weight | 179.246 | Flash Point | 145.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion. See also ALDEHYDES. When heated to decomposition it emits very toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzaldehyde,thiosemicarbazone (6CI,7CI,8CI); Benzalthiosemicarbazone; NSC 267 |
Article Data | 96 |
Benzaldehyde thiosemicarbazone Chemical Properties
Product Name: Benzaldehyde thiosemicarbazone (CAS NO.1627-73-2)
Molecular Formula: C8H9N3S
Molecular Weight: 179.24g/mol
Mol File: 1627-73-2.mol
Einecs: 216-618-0
Melting Point: 154 °C
Boiling point: 316.5 °C at 760 mmHg
Flash Point: 145.2 °C
Density: 1.21 g/cm3
Surface Tension: 45.6 dyne/cm
Enthalpy of Vaporization: 55.79 kJ/mol
Vapour Pressure: 0.000408 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 1
Structure Descriptors of Benzaldehyde thiosemicarbazone (CAS NO.1627-73-2):
IUPAC Name: [(E)-benzylideneamino]thiourea
Canonical SMILES: C1=CC=C(C=C1)C=NNC(=S)N
Isomeric SMILES: C1=CC=C(C=C1)/C=N/NC(=S)N
InChI: InChI=1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+
InChIKey: UYHCMAZIKNVDSX-UXBLZVDNSA-N
Benzaldehyde thiosemicarbazone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 100mg/kg (100mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 2, Pg. 764, 1950. | |
| rat | LDLo | oral | 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953. |
Benzaldehyde thiosemicarbazone Safety Profile
Poison by ingestion. See also ALDEHYDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Benzaldehyde thiosemicarbazone Specification
Benzaldehyde thiosemicarbazone ,its CAS NO. is 1627-73-2,the synonyms is 2-(Phenylmethylene)hydrazinecarbothioamide ; 4-07-00-00538 (Beilstein Handbook Reference) ; AI3-22958 ; BRN 2045550 ; EINECS 216-618-0 ; NSC 267 ; Hydrazinecarbothioamide, 2-(phenylmethylene)- (9CI) .
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