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Name |
Thiourea,N-(4-methoxyphenyl)- |
EINECS | 218-931-8 |
CAS No. | 2293-07-4 | Density | 1.287 g/cm3 |
PSA | 79.37000 | LogP | 2.12400 |
Solubility | N/A | Melting Point |
223-225 °C |
Formula | C8H10N2OS | Boiling Point | 311 °C at 760 mmHg |
Molecular Weight | 182.246 | Flash Point | 141.9 °C |
Transport Information | N/A | Appearance | White to greyish powder |
Safety | 45-38-36/37/39 | Risk Codes | 23/24/25 |
Molecular Structure | Hazard Symbols | T,Xi | |
Synonyms |
Thiourea,(4-methoxyphenyl)- (9CI);Urea, 1-(p-methoxyphenyl)-2-thio- (6CI,7CI,8CI);(4-Methoxyphenyl)thiourea;(p-Methoxyphenyl)thiourea;1-(4-Methoxyphenyl)thiourea;1-(p-Methoxyphenyl)thiourea;4-Thioureidoanisole;N-(4-Methoxyphenyl)thiourea;N-(p-Methoxyphenyl)thiourea;N-p-Anisylthiourea;NSC 402583;NSC 79869;p-Anisylthiourea; |
Article Data | 90 |
The Thiourea,N-(4-methoxyphenyl)-, with the CAS registry number 2293-07-4, is also known as 1-(4-Methoxyphenyl)-2-thiourea 98%. It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 218-931-8. This chemical's molecular formula is C8H10N2OS and molecular weight is 182.2428. Its IUPAC name is called (4-methoxyphenyl)thiourea. This chemical's classification codes are Agricultural Chemical; Experimental pesticide; Unspecified / Unclassified pesticide. It is white to greyish powder.
Physical properties of Thiourea,N-(4-methoxyphenyl)-: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.93; (5)ACD/BCF (pH 7.4): 1.93; (6)ACD/KOC (pH 5.5): 55.79; (7)ACD/KOC (pH 7.4): 55.79; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 53.36 cm3; (13)Molar Volume: 141.5 cm3; (14)Surface Tension: 62.7 dyne/cm; (15)Density: 1.287 g/cm3; (16)Flash Point: 141.9 °C; (17)Enthalpy of Vaporization: 55.19 kJ/mol; (18)Boiling Point: 311 °C at 760 mmHg; (19)Vapour Pressure: 0.00058 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-benzoyl-3-(4-methoxyphenyl)thiourea. This reaction will need reagent 2,5 N NaOH. The reaction temperature is 100 °C. The yield is about 80%.
Uses of Thiourea,N-(4-methoxyphenyl)-: it can be used to produce N-(4-methoxy-phenyl)-S-methyl-isothiourea. This reaction will need reagent ethanol.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It may cause inflammation to the skin or other mucous membranes. It is toxic by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N
(2)InChI: InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
(3)InChIKey: SRYLJBWDZZMDSK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | oral | 12mg/kg (12mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. | |
rat | LDLo | oral | 25mg/kg (25mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 46, 1953. |