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Chemical Structure| 2131-55-7 Chemical Structure| 2131-55-7

Structure of 2131-55-7

Chemical Structure| 2131-55-7

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Product Details of [ 2131-55-7 ]

CAS No. :2131-55-7
Formula : C7H4ClNS
M.W : 169.63
SMILES Code : ClC1=CC=C(N=C=S)C=C1
MDL No. :MFCD00004810
InChI Key :MZZVFXMTZTVUFO-UHFFFAOYSA-N
Pubchem ID :16480

Safety of [ 2131-55-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H311-H315-H319-H331-H334-H335
Precautionary Statements:P233-P260-P261-P264-P271-P280-P285-P302+P352-P304-P304+P340-P304+P341-P305+P351+P338-P311-P312-P321-P322-P332+P313-P337+P313-P340-P342+P311-P361-P362-P363-P403-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 2131-55-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2131-55-7 ]

[ 2131-55-7 ] Synthesis Path-Downstream   1~21

  • 1
  • [ 53051-97-1 ]
  • [ 2131-55-7 ]
  • [ 108898-74-4 ]
  • 2
  • [ 14779-17-0 ]
  • [ 2131-55-7 ]
  • [ 5923-76-2 ]
  • 3
  • [ 16311-69-6 ]
  • [ 2131-55-7 ]
  • [ 20940-00-5 ]
  • 4
  • [ 16311-69-6 ]
  • [ 2131-55-7 ]
  • [ 20939-94-0 ]
  • 5
  • [ 1005-39-6 ]
  • [ 2131-55-7 ]
  • [ 121087-93-2 ]
  • 7
  • [ 34800-90-3 ]
  • [ 2131-55-7 ]
  • [ 76151-25-2 ]
  • 8
  • [ 538-28-3 ]
  • [ 2131-55-7 ]
  • [ 132533-32-5 ]
  • 9
  • [ 34800-90-3 ]
  • [ 2131-55-7 ]
  • 1-(1-naphthylacetyl)-4-(p-chlorophenyl)thiosemicarbazide [ No CAS ]
  • 10
  • [ 59-66-5 ]
  • [ 2131-55-7 ]
  • C11H10ClN5O3S3 [ No CAS ]
  • 11
  • [ 4919-00-0 ]
  • [ 2131-55-7 ]
  • [ 852854-25-2 ]
YieldReaction ConditionsOperation in experiment
20% In pyridine; at 100.0℃; for 19.0h; Description 18 (0.98 g, 6.95 mmol) and 4-chlorophenyl isothiocyanate (1.29 g, 7.65 mmol) were stirred in pyridine (5 ml) at 100 C. After 15 h additional 4chlorophenyl isothiocyanate (0.12 g, 0.70 mmol) was added and heating continued for a further 4 h. The reaction was cooled, poured onto ice and the resultant solid, methyl 5-([(4-chlorophenyl)amino]carbonothioyl}amino)-1H-imidazole-4carboxylate, was collected by filtration and dried (0.42 g, 20 %). Without <Desc/Clms Page number 45>purification, the solid was slurried in 1 % aqueous sodium hydroxide solution (10 ml) and heated at 80 C for 2 h. The reaction was cooled and filtered to remove unreacted starting material. The filtrate was acidified to pH 5 using acetic acid, causing a fine white precipitate to form. The solid was collected, rinsed with water and dried to give the title compound as a fine white solid (0. 28 g, 73 %). 1H NMR (360 MHz, DMSO)8 13.72 (2H, brs), 8.18(1H, s), 7.55 (2H, m), 7.30 (2H, m). Mlz (ES+) 279,281 (M+H+).
  • 12
  • [ 456-00-8 ]
  • [ 2131-55-7 ]
  • [ 864535-60-4 ]
YieldReaction ConditionsOperation in experiment
A mixture of 2-amino-1-(4-fluoro-phenyl)-ethanone hydrochloride (5.0 g, 26.5 mmol), 4-chlorophenyl isothiocyanate (4.49 g, 26.5 mmol) and sodium hydrogencarbonate (3.3 g, 39.7 mmol) in ethanol (100 mL) was heated at 90 C. for 2 hours. The solvent was removed under reduce pressure. The resulting residue was re-suspended in aqueous 1N sodium hydroxide (50 mL) and heated at 100 C. overnight. The hot mixture was filtered, cooled and carefully acidifed with aqueous 6N HCl. The resulting mixture was filtered to give 1-(4-chloro-phenyl)-5-(4-fluoro-phenyl)-1H-imidazole-2-thiol (8.0 g, 26.3 mmol) as a yellow solid after drying.
A mixture of 2-amino-1-(4-fluoro-phenyl)-ethanone hydrochloride (5.0 g, 26.5 mmol), 4-chlorophenyl isothiocyanate (4.49 g, 26.5 mmol) and sodium hydrogencarbonate (3.3 g, 39.7 mmol) in ethanol (100 mL) was heated at 90 C. for 2 hours. The solvent was removed under reduce pressure. The resulting residue was re-suspended in aqueous 1N sodium hydroxide (50 mL) and heated at 100 C. overnight. The hot mixture was filtered, cooled and carefully acidified with aqueous 6N HCl. The resulting mixture was filtered to give 1-(4-chloro-phenyl)-5-(4-fluoro-phenyl)-1H-imidazole-2-thiol (8.0 g, 26.3 mmol) as a yellow solid after drying.
  • 13
  • [ 120-35-4 ]
  • [ 2131-55-7 ]
  • 3-[3-(4-Chlorophenyl)-thioureido]-4-methoxy-N-phenyl-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethyl acetate; Example 65 3-[3-(4-Chlorophenyl)-thioureido]-4-methoxy-N-phenyl-benzamide Prepared according to the procedure described for Example 60 using 3-amino-4-methoxy-N-phenyl-benzamide (0.243 g, 1.0 mmol) and 4-chlorophenyl isothiocyanate (0.174 g, 1.03 mmol). Trituration in hexanes/ethyl acetate (1:1) gave the product (0.362 g); m.p. 179-180 C. Calculated for C21H18ClN3O2S: C, 61.23; H, 4.40; N, 10.20. Found: C, 60.94; H, 4.23; N, 10.03.
  • 14
  • [ 456-00-8 ]
  • [ 2131-55-7 ]
  • [ 864535-60-4 ]
YieldReaction ConditionsOperation in experiment
Part 3. Preparation of 1-(4-Chloro-phenyl)-5-(4-fluoro-phenyl)-1H-imidazole-2-thiol; A mixture of 2-amino-1-(4-fluoro-phenyl)-ethanone hydrochloride (1 eq), 4-chlorophenyl isothiocyanate (1 eq) and sodium hydrogencarbonate (1.5 eq) in ethanol is heated at 90 C. for 2 hours. The solvent is removed under reduce pressure. The resulting residue is re-suspended in aqueous 1N sodium hydroxide and heated at 100 C. overnight. The hot mixture is filtered, cooled and carefully acidified with aqueous 6N HCl. The resulting mixture is filtered to give 1-(4-chloro-phenyl)-5-(4-fluoro-phenyl)-1H-imidazole-2-thiol.
A mixture of 2-amino-1-(4-fluoro-phenyl)-ethanone hydrochloride (1 eq), 4-chlorophenyl isothiocyanate (1 eq) and sodium hydrogencarbonate (1.5 eq) in ethanol is heated at 90 C. for 2 hours. The solvent is removed under reduce pressure. The resulting residue is re-suspended in aqueous 1N sodium hydroxide and heated at 100 C. overnight. The hot mixture is filtered, cooled and carefully acidified with aqueous 6N HCl. The resulting mixture is filtered to give 1-(4-chloro-phenyl)-5-(4-fluoro-phenyl)-1H-imidazole-2-thiol.
  • 15
  • [ 5344-27-4 ]
  • [ 2131-55-7 ]
  • [ 1033591-06-8 ]
  • 16
  • [ 78364-55-3 ]
  • [ 2131-55-7 ]
  • [ 1111097-33-6 ]
  • 17
  • [ 69583-00-2 ]
  • [ 2131-55-7 ]
  • [ 1352078-19-3 ]
  • 18
  • [ 6761-52-0 ]
  • [ 2131-55-7 ]
  • [ 1402083-80-0 ]
  • 19
  • [ 103646-82-8 ]
  • [ 2131-55-7 ]
  • 5-(4-chlorophenyl)-4-imino-1-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-d]pyrimidin-6-thione [ No CAS ]
  • 20
  • [ 103646-82-8 ]
  • [ 2131-55-7 ]
  • 1-(4-chlorophenyl)-3-(4-cyano-2-p-tolyl-2H-pyrazol-3-yl)-thiourea [ No CAS ]
  • 21
  • [ 25475-67-6 ]
  • [ 2131-55-7 ]
  • N-(3H-[1,2,4]thiadiazolo[4,3-b]isoquinolin-3-ylidene)-4-chloroaniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
89% With montmorillonite K10 Clay; In acetonitrile; at 20℃; for 3h; General procedure: A round bottom flask containing commercially available montmorillonite K10 (10 molpercent) was placed in an oven at 120-130°C for 30 minutes and then it was cooled to room temperature under nitrogen protection. To the activated montmorillonite K10 was added isothiocyanate (3.4 mmol) and <strong>[25475-67-6]3-aminoisoquinoline</strong> (3.4 mmol) followed by acetonitrile (2 mL) at room temperature. The resulting suspension was stirred at room temperature for 1-3 hour. When the reaction was completed (detected by TLC), ethyl acetate (30 mL) was added and the catalyst was filtered off to recover. The organic layer was washed with water (3×30 mL), and finally with half saturated brine, dried over anhydrous Na2SO4 and concentrated by rotary evaporator. Finally, the residue was purified by recrystallization from ethanol.
 

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