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| CAS No.: | 19250-09-0 |
|---|---|
| Name: | 1-(3,4-Dichlorophenyl)-2-thiourea |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C7H6Cl2N2S |
| Molecular Weight: | 221.11 |
| Synonyms: | Thiourea,(3,4-dichlorophenyl)- (9CI);Urea, 1-(3,4-dichlorophenyl)-2-thio- (7CI,8CI);(3,4-Dichlorophenyl)thiourea;Amino[(3,4-dichlorophenyl)amino]methane-1-thione;N-(3,4-Dichlorophenyl)thiourea; |
| EINECS: | 242-919-1 |
| Density: | 1.563 g/cm3 |
| Melting Point: | 197-199 °C(lit.) |
| Boiling Point: | 327.7 °C at 760 mmHg |
| Flash Point: | 152 °C |
| Solubility: | slightly soluble in Water |
| Appearance: | grey crystalline powder |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 36/37/38-28 |
| Safety: | 45-36/37/39-28-26-22 |
| PSA: | 70.14000 |
| LogP: | 3.42220 |
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Specification
The Thiourea,N-(3,4-dichlorophenyl)-, with the CAS registry number 19250-09-0, is also known as 1-(3,4-Dichlorophenyl)-2-thiourea. Its EINECS registry number is 242-919-1. This chemical's molecular formula is C7H6Cl2N2S and molecular weight is 221.11. Its IUPAC name is called (3,4-dichlorophenyl)thiourea. What's more, the product should be sealed and stored in cool, dry place.
Physical properties of Thiourea,N-(3,4-dichlorophenyl)-: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.62; (4)ACD/BCF (pH 5.5): 58.21; (5)ACD/BCF (pH 7.4): 58.2; (6)ACD/KOC (pH 5.5): 638.24; (7)ACD/KOC (pH 7.4): 638.11; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.73; (12)Molar Refractivity: 56.47 cm3; (13)Molar Volume: 141.4 cm3; (14)Surface Tension: 73 dyne/cm; (15)Density: 1.563 g/cm3; (16)Flash Point: 152 °C; (17)Enthalpy of Vaporization: 57.01 kJ/mol; (18)Boiling Point: 327.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000198 mmHg at 25°C.
Preparation: this chemical can be prepared by N-benzoyl-N'-(3,4-dichloro-phenyl)-thiourea. This reaction will need reagent aqueous NaOH-solution.
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Uses of Thiourea,N-(3,4-dichlorophenyl)-: it can be used to produce C8H8Cl2N2S•HI at ambient temperature. This reaction will need solvent methanol with reaction time of 3 hours. The yield is about 73%.
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When you are using this chemical, please be cautious about it as the following:
This chemical that at very low level can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1NC(=S)N)Cl)Cl
(2)InChI: InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
(3)InChIKey: CCNCITSJXCSXJY-UHFFFAOYSA-N