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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 |
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
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. |
Poison by ingestion. See also ALDEHYDES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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) .