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| CAS No.: | 103-85-5 |
|---|---|
| Name: | 1-Phenyl-2-thiourea |
| Article Data: | 200 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8N2S |
| Molecular Weight: | 152.22 |
| Synonyms: | Thiourea,phenyl- (9CI);Urea, 1-phenyl-2-thio- (8CI);1-Phenyl-2-thiourea;1-Phenylthiourea;N-Phenylthiourea;NSC 5779;PTU;Phenylthiocarbamide;Phenylthiourea;U 6324;a-Phenylthiourea; |
| EINECS: | 203-151-2 |
| Density: | 1.294 g/cm3 |
| Melting Point: | 145-150 °C(lit.) |
| Boiling Point: | 266.7 °C at 760 mmHg |
| Flash Point: | 115.1 °C |
| Solubility: | Soluble in hot water and alcohol. |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 28-43 |
| Safety: | 28-36/37-45 |
| Transport Information: | UN 2811 6.1/PG 1 |
| PSA: | 70.14000 |
| LogP: | 2.11540 |
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| Conditions | Yield |
|---|---|
| With ammonia at -30℃; under 300.024 Torr; Addition; solid-gas reaction; | 100% |
| With ammonium hydroxide In water; acetonitrile at 20℃; for 3h; | 100% |
| With ammonia In 1,2-dimethoxyethane | 99% |
| Conditions | Yield |
|---|---|
| With hydrazine at 25℃; for 0.166667h; | 95% |
| With sodium hydroxide In water at 80℃; | 92.2% |
| With sodium hydroxide at 98℃; for 0.166667h; | 90% |
| Conditions | Yield |
|---|---|
| With ethanol for 0.0125h; Microwave irradiation; Neat (no solvent); | 94% |
| Heating; | 75% |
| With water at 100℃; Ausziehen den Salmiak durch kaltes Wasser und Umkrystallisieren das Umgeloeste aus siedendem Alkohol; |
| Conditions | Yield |
|---|---|
| Stage #1: aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide In ethanol Substitution; Heating; Stage #2: With ammonia In ethanol for 3h; Substitution; | 94% |
| Conditions | Yield |
|---|---|
| With dibenzyl ether Inert atmosphere; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: ammonium thiocyanate With benzoyl chloride In acetone at 70℃; for 0.25h; Stage #2: aniline In acetone Heating; Stage #3: With sodium hydroxide at 90℃; for 0.333333h; | 82% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; trimethylbenzylammonium bromide; triethylamine In ethyl acetate for 2.5h; Heating; | 80% |
| With ethanol; ammonia at 100℃; | |
| Multi-step reaction with 2 steps 1: hydrogen chloride 2: alcohol; ammonia View Scheme |
- 103-85-5
monophenylthiourea
| Conditions | Yield |
|---|---|
| With hydrogen sulfide In tetrahydrofuran at 90℃; for 4h; | 78% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 90℃; for 20h; | A 27% B 73% |
| Conditions | Yield |
|---|---|
| In acetone for 18h; Reflux; | 73% |
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Chemistry
Product Name: 1-Phenyl-2-thiourea (103-85-5)
Molecular Formula: C7H8N2S
Molecular Weight: 152.22g/mol
Mol File: 103-85-5.mol
Appearance: white crystalline powder
Melting Point: 145-150 °C(lit.)
Boiling point: 266.7 °C at 760 mmHg
Storage Temperature: Poison room
Flash Point: 115.1 °C
Density: 1.294 g/cm3
Water Solubility: negligible
Stability: Stable. Incompatible with strong acids, strong oxidizing agents, strong bases.
Product Categories: Benzene derivatives
Synonyms of 1-Phenyl-2-thiourea (103-85-5): 1-phenyl-2-thio-ure ; alpha-Phenylthiourea ; Fenylthiomocovina ; NCI-C02017 ; phenyl-thioure ; phenylthiourea0 ; Rcra waste number P093 ; rcrawastenumberp093 .
Uses
1-Phenyl-2-thiourea (103-85-5) is used in the manufacture of rodenticides and in medical genetics.It's for the production of 2 - amino-benzothiazole, 3 - methyl-benzothiazole hydrazone such as dye intermediates. Also it's used as analytical reagent.
Production
From the first with sulfuric acid aniline salt, and then carry out addition reaction of sodium cyanide with sulfur derived.
Toxicity Data With Reference
1-Phenyl-2-thiourea (103-85-5) is classified as extremely toxic. The probable oral lethal dose is 5-50 mg/kg or between 7 drops and 1 teaspoon for a 70 kg (150 lb.) person.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 10mg/kg (10mg/kg) | Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, | |
| rabbit | LD50 | oral | 40mg/kg (40mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 109, 1961. | |
| rat | LD50 | intraperitoneal | 5mg/kg (5mg/kg) | ENDOCRINE: HYPERGLYCEMIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 186, 1947. |
| rat | LD50 | oral | 3mg/kg (3mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 109, 1961. |
Consensus Reports
NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-148 ,1978. . EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
Safety Profile
Dangerous disaster hazard; emits toxic fumes of oxides of sulfur and nitrogen when heated to decomposition. Avoid acids or acid fumes.
Safety Information of 1-Phenyl-2-thiourea (103-85-5):
Hazard Codes: T+.gif){kind=small}
Risk Statements: 28-43
28: Very Toxic if swallowed
43: May cause sensitization by skin contact
Safety Statements: 28-36/37-45
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
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)