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Thiourea,N-(2,3-dichlorophenyl)-

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Name

Thiourea,N-(2,3-dichlorophenyl)-

EINECS N/A
CAS No. 41542-06-7 Density 1.563 g/cm3
PSA 70.14000 LogP 3.42220
Solubility N/A Melting Point 160 °C
Formula C7H6Cl2N2S Boiling Point 322.3 °C at 760 mmHg
Molecular Weight 221.11 Flash Point 148.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 41542-06-7 (1-(2,3-DICHLOROPHENYL)-2-THIOUREA) Hazard Symbols Xn
Synonyms

1-(2,3-Dichlorophenyl)thiourea;

Article Data 4

Thiourea,N-(2,3-dichlorophenyl)- Specification

The Thiourea,N-(2,3-dichlorophenyl)-, with the CAS registry number of 41542-06-7, is also known as 1-(2,3-Dichlorophenyl)thiourea. Its molecular formula is C7H6Cl2N2S and molecular weight is 221.11. What's more, its IUPAC name is (2,3-Dichlorophenyl)thiourea.

Physical properties about the Thiourea,N-(2,3-dichlorophenyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.04; (6)ACD/BCF (pH 7.4): 25.04; (7)ACD/KOC (pH 5.5): 348.96; (8)ACD/KOC (pH 7.4): 348.88; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 56.47 cm3; (15)Molar Volume: 141.4 cm3; (16)Surface Tension: 73 dyne/cm; (17)Density: 1.563 g/cm3; (18)Flash Point: 148.7 °C; (19)Enthalpy of Vaporization: 56.42 kJ/mol; (20)Boiling Point: 322.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000281 mmHg at 25 °C.

Preparation: this chemical can be obtained by 1-Benzoyl-3-(2,3-dichloro-phenyl)-thiourea. The reaction needs reagent NaOH. The reaction time is 9 min with reaction temperature of 85 °C. The yield is about 96 %.

The Thiourea,N-(2,3-dichlorophenyl)- can be obtained by 1-Benzoyl-3-(2,3-dichloro-phenyl)-thiourea

Uses: it is used to produce other chemicals. For example, it is used to produce C8H8Cl2N2S*HI. This reaction needs solvent Methanol. The reaction time is 2 h. The yield is about 85 %.

The Thiourea,N-(2,3-dichlorophenyl)- can react with Iodomethane to get C8H8Cl2N2S*HI

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(NC(=S)N)cccc1Cl
(2) InChI: InChI=1/C7H6Cl2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
(3) InChIKey: AHQMVDBEJWQFIR-UHFFFAOYAA

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