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TMT00372

Sigma-Aldrich

4-Benzyl-5-((3,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol

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5 G
₩203,508

About This Item

Empirical Formula (Hill Notation):
C18H19N3OS
Molecular Weight:
325.43
MDL number:
MFCD08282927
UNSPSC Code:
12352105
PubChem Substance ID:
329827319

₩203,508

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form

solid

SMILES string

SC1=NN=C(COC2=CC(C)=C(C)C=C2)N1CC3=CC=CC=C3

InChI

1S/C18H19N3OS/c1-13-8-9-16(10-14(13)2)22-12-17-19-20-18(23)21(17)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)

InChI key

AVCHODUZKSHCCE-UHFFFAOYSA-N

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Show Differences

1 of 4

This Item
186295108146235296
3,5-Bis(trifluoromethyl)phenylacetic acid 98%

263419

3,5-Bis(trifluoromethyl)phenylacetic acid

3-Bromobenzoic acid 98%

186295

3-Bromobenzoic acid

Benzenesulfonamide ≥98%

108146

Benzenesulfonamide

2-(Trifluoromethyl)phenylacetic acid 98%

235296

2-(Trifluoromethyl)phenylacetic acid

assay

98%

assay

98%

assay

≥98%

assay

98%

solubility

methanol: soluble 25 mg/mL, clear, colorless

solubility

methanol: soluble 50 mg/mL, clear, colorless

solubility

methanol: soluble 25 mg/mL

solubility

-

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

form

solid

form

-

form

solid

form

solid

mp

121-123 °C (lit.)

mp

155-158 °C (lit.)

mp

149-152 °C (lit.)

mp

100-102 °C (lit.)

functional group

carboxylic acid

functional group

bromo, carboxylic acid

functional group

-

functional group

carboxylic acid, fluoro

Other Notes

Please note that Sigma-Aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. Sigma-Aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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    Bioorganic & medicinal chemistry letters, 19(17), 5169-5175 (2009-07-28)
    Combinatorial chemistry offers a unique opportunity for the synthesis and screening of large numbers of compounds and significantly enhances the prospect of finding new drugs. Collaborative efforts with the Tuberculosis Antimicrobial Acquisition & Coordinating Facility (TAACF), have led to the
    Trine Eggen et al.
    The Science of the total environment, 408(21), 5147-5157 (2010-08-11)
    Landfills have historically remained the most common methods of organized waste disposal and still remain so in many regions of the world. Thus, they may contain wastes resulting from several decades of disposal and decomposition with subsequent release of organic

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