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Cas Database |
| Name |
4-Allylthiosemicarbazide |
EINECS | N/A |
| CAS No. | 3766-55-0 | Density | 1.131g/cm3 |
| PSA | 82.17000 | LogP | 0.99230 |
| Solubility | N/A | Melting Point |
93-96 °C(lit.) |
| Formula | C4H9 N3 S | Boiling Point | 209.8°Cat760mmHg |
| Molecular Weight | 131.202 | Flash Point | 80.7°C |
| Transport Information | N/A | Appearance | WHITE TO LIGHT YELLOW CRYSTALLINE POWDER |
| Safety | Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also ALLYL COMPOUNDS. | Risk Codes | 25-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Hydrazinecarbothioamide,N-2-propenyl- (9CI); Semicarbazide, 4-allyl-3-thio- (6CI,7CI,8CI);4-(2-Propenyl)hydrazinethiocarbamide; 4-Allyl-3-thiosemicarbazide;4-Allylthiosemicarbazide; Allylthiosemicarbazide;N-(2-Propenyl)hydrazinecarbothioamide; N-Allylthiosemicarbazide; NSC 75830 |
Article Data | 20 |
4-Allylthiosemicarbazide Chemical Properties
Product Name: 4-Allylthiosemicarbazide (CAS NO.3766-55-0)
Molecular Formula: C4H9N3S
Molecular Weight: 131.2g/mol
Mol File: 3766-55-0.mol
EINECS: 223-186-7
Melting Point: 93-96 °C(lit.)
Boiling point: 209.8 °C at 760 mmHg
Flash Point: 80.7 °C
Density: 1.131 g/cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 44.61 kJ/mol
Vapour Pressure: 0.199 mmHg at 25°C
XLogP3-AA: -0.1
H-Bond Donor: 3
H-Bond Acceptor: 1
Structure Descriptors of 4-Allylthiosemicarbazide (CAS NO.3766-55-0):
IUPAC Name: 1-Amino-3-prop-2-enylthiourea
Canonical SMILES: C=CCNC(=S)NN
InChI: InChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)
InChIKey: CZLPCLANGIXFIE-UHFFFAOYSA-N
4-Allylthiosemicarbazide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00434, |
4-Allylthiosemicarbazide Safety Profile
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also ALLYL COMPOUNDS.
Safety Information of 4-Allylthiosemicarbazide (CAS NO.3766-55-0):
Risk Statements: 25-36/37/38
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 24/25
24: Avoid contact with skin
25: Avoid contact with eyes
RIDADR: 2811
WGK Germany: 3
RTECS: VT3000000
4-Allylthiosemicarbazide Specification
4-Allylthiosemicarbazide , its CAS NO. is 3766-55-0, the synonyms are 4-04-00-01074 (Beilstein Handbook Reference) ; 4-Allyl-3-thiosemicarbazide ; Allylthiosemicarbazide ; Allythiosemicarbazide ; BRN 1751645 ; EINECS 223-186-7 ; N-Allylthiosemicarbazide ; NSC 75830 ; Hydrazinecarbothioamide, N-2-propenyl- (9CI) ; Semicarbazide, 4-allyl-3-thio- .
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