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| CAS No.: | 2986-17-6 |
|---|---|
| Name: | N,N'-DIISOPROPYLTHIOUREA |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H16N2S |
| Molecular Weight: | 160.283 |
| Synonyms: | Urea,1,3-diisopropyl-2-thio- (6CI,7CI,8CI);1,3-Diisopropyl-2-thiourea;1,3-Diisopropylthiourea;Diisopropylthiourea;NSC8694; |
| EINECS: | 221-051-7 |
| Density: | 0.957 g/cm3 |
| Melting Point: | 143-145 °C(lit.) |
| Boiling Point: | 200.2 °C at 760 mmHg |
| Flash Point: | 74.9 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25 |
| Safety: | 27-28-36/37/39-45 |
| PSA: | 56.15000 |
| LogP: | 2.04910 |
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Chemistry
Molecular Formula: C7H16N2S
Molar mass: 160.28 g/mol
EINECS: 221-051-7
Density: 0.957 g/cm3
Flash Point: 74.9 °C
Index of Refraction: 1.495
Boiling Point: 200.2 °C at 760 mmHg
Vapour Pressure: 0.329 mmHg at 25°C
Melting point: 143-145 °C(lit.)
Product categories of N,N'-Diisopropylthiourea (2986-17-6): Sulfur Compounds;Organic Building Blocks;Thioureas
Structure of N,N'-Diisopropylthiourea (2986-17-6):
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 0
IUPAC Name: 1,3-Di(propan-2-yl)thiourea
Canonical SMILES: CC(C)NC(=S)NC(C)C
InChI: InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKey: KREOCUNMMFZOOS-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:450 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. | ||
| 2. | orl-mus LDLo:1070 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 14 (1985),111. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes: T.gif){kind=small}
Risk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
Safety Statements:
27: Take off immediately all contaminated clothing
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
N,N'-Diisopropylthiourea (2986-17-6) also can be called N,N'-Diisopropylthiourea ; 1,3-Diisopropyl-2-thiourea ; 1, 3-Diisopropylthiourea ; Diisopropylthiourea .