5-Chloromethyl-2H-1,2,4-triazolin-3-one

Product Name: 5-Chloromethyl-2H-1,2,4-triazolin-3-one
CAS No.: 252742-72-6
Chemical Name: 5-Chloromethyl-2H-1,2,4-triazolin-3-one
Synonyms: 5-(chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one;3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one;3-Chloromethyl-1,2,4-triazol-5-one;3-Chloromethyl-1,2,4-triazolin-5-one;CjH4CIN3O;-5(4H)-one;Aprepitant Impurity 51;5-Chloromethyl-1H-[1,2,4]triazol-3-ol;5-(Chloromethyl)-4h-1,2,4-triazol-3-ol;5-ChloroMethyl-2H-1,2,4-triazolin-3-one
CBNumber: CB0273237
Molecular Formula: C3H4ClN3O
Formula Weight: 133.54
MOL File: 252742-72-6.mol

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5-Chloromethyl-2H-1,2,4-triazolin-3-one Property

Melting point:: 199°C(lit.)
Density: 1.83±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 7.46±0.20(Predicted)
color: White to Almost white
InChI: InChI=1S/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h1H2,(H2,5,6,7,8)
InChIKey: ZLRBJVJEQXBAAI-UHFFFAOYSA-N
SMILES: N1C(CCl)=NC(=O)N1
CAS DataBase Reference: 252742-72-6

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Safety

RIDADR: UN 3261 8/PG II
HazardClass: 8
PackingGroup: II
HS Code: 2914390090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H290May be corrosive to metals

H314Causes severe skin burns and eye damage

Precautionary statements

P234Keep only in original container.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P363Wash contaminated clothing before reuse.

P390Absorb spillage to prevent material damage.

P405Store locked up.

P406Store in corrosive resistant/… container with a resistant inner liner.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: C3094
Product name: 3-(Chloromethyl)-1,2,4-triazolin-5-one
Purity: >98.0%(HPLC)(T)
Packaging: 1g
Price: $82
Updated: 2025/07/31

TCI Chemical

Product number: C3094
Product name: 3-(Chloromethyl)-1,2,4-triazolin-5-one
Purity: >98.0%(HPLC)(T)
Packaging: 5g
Price: $248
Updated: 2025/07/31

TRC

Product number: C369885
Product name: 5-Chloromethyl-2H-1,2,4-triazolin-3-one
Packaging: 10mg
Price: $65
Updated: 2021/12/16

AK Scientific

Product number: W4857
Product name: 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one
Packaging: 250mg
Price: $72
Updated: 2021/12/16

AK Scientific

Product number: W4857
Product name: 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one
Packaging: 1g
Price: $78
Updated: 2021/12/16

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5-Chloromethyl-2H-1,2,4-triazolin-3-one Chemical Properties,Usage,Production

Chemical Properties

White to Almost white powder to crystal

Uses

5-Chloromethyl-2H-1,2,4-triazolin-3-one is an intermediate used in the synthesis of Aprepitant (A729800) and Fosaprepitant, used as antiemetic drugs.

Application

3-Chloromethyl-1,2,4-triazolin-5-one is an intermediate in organic synthesis and pharmaceutical intermediate, which can be used in laboratory R&D synthesis process and chemical biological R&D process.

Hazard

5-Chloromethyl-2H-1,2,4-triazolin-3-one is a hazardous chemical that is corrosive to metals, irritating to the eyes and skin, and may cause respiratory irritation.

Synthesis

563-41-7

74974-54-2

252742-72-6

4.0 g of aminourea hydrochloride, 9.67 mL of 2-chloro-1,1,1-trimethoxyethane and 40 mL of methanol were mixed in a reaction vial and the reaction was stirred at room temperature for 3 days. Subsequently, 3.5 mL of 2-chloro-1,1,1-trimethoxyethane was added to the reaction system to ensure complete reaction. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure to remove the solvent. The concentrated crude product was extracted by partitioning between ethyl acetate and 1N hydrochloric acid solution. The organic phase was separated and washed twice with 1N hydrochloric acid solution. All aqueous phase extracts were combined and then extracted five times with ethyl acetate. All organic phases were combined, dried over anhydrous sodium sulfate, filtered to remove the desiccant and the filtrate was concentrated under reduced pressure. The resulting solid was ground with ethyl acetate to give 5-chloromethyl-2,4-dihydro[1,2,4]triazol-3-one, and the product could be used in subsequent reactions without further purification. Yield: 2.97 g (62% yield). The product was characterized by 1H NMR (500 MHz, DMSO-d6): δ 4.49 (2H, s), 11.55 (1H, br.s), 11.70 (1H, br.s).

References

[1] Tetrahedron Letters, 2000, vol. 41, # 44, p. 8661 - 8664
[2] Patent: US2012/28939, 2012, A1. Location in patent: Page/Page column 27
[3] Patent: WO2011/92128, 2011, A1. Location in patent: Page/Page column 51-52
[4] Patent: WO2014/139328, 2014, A1. Location in patent: Page/Page column 614
[5] Patent: WO2006/133426, 2006, A2. Location in patent: Page/Page column 276

5-Chloromethyl-2H-1,2,4-triazolin-3-one Preparation Products And Raw materials

Raw materials

Preparation Products

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5-Chloromethyl-2H-1,2,4-triazolin-3-one Suppliers

Americas 1 Canada 1 China 262 India 10 Japan 2 United Kingdom 3 United States 15 Global 294

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View Lastest Price from 5-Chloromethyl-2H-1,2,4-triazolin-3-one manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd

Product: 3-Chloromethyl-1,2,4-triazolin-5-one 252742-72-6
Price: US $50.00/kg
Min. Order: 1kg
Purity: 99
Supply Ability: 5000
Release date: 2024-12-06

PUSHAN INDUSTRIAL (SHAANXI) CO.,LTD

Product: 5-Chloromethyl-2H-1,2,4-triazolin-3-one 252742-72-6
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 5 MTs
Release date: 2024-05-11

Hangzhou ICH Biofarm Co., Ltd

Product: 3-Chloromethyl-1,2,4-triazolin-5-one 252742-72-6
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: ≥1kg
Release date: 2023-07-18

252742-72-6, 5-Chloromethyl-2H-1,2,4-triazolin-3-oneRelated Search:

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5-CHLOROMETHYL-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE

3-Chloromethyl-1,2,4-triazol-5-one

3-Chloromethyl-1,2,4-triazolin-5-one

3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one

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5-(CHLOORMETHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOOL-3-ON

5-Chloromethyl-2,4-Dithydro-[1,2,4]Triazol-3-One

Aprepitant Impurity 51

5-Chloromethyl-1H-[1,2,4]triazol-3-ol

5-ChloroMethyl-2H-1,2,4-triazolin-3-one

3-Chloromethyl-1,2,4-triazolin-5-one,Aprepitant intermediate

3-Chloromethyl-1,2,4-triazolin-5-one 5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one

Aprepitant int-2 3-chloromethyl-1,2,4-triazolin-5-one

5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one

5-(chloromethyl)-1,2-dihydro-3H-1,2,4-Triazol-3-one

(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one

-5(4H)-one

3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-1,2-dihydro-

5-(Chloromethyl)-4h-1,2,4-triazol-3-ol

5-(chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Aprepitant intermediates，5-Chloromethyl-2,4-dihydro-〔1,2,4〕 triazol-3-one

1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-6-yl)-

CjH4CIN3O

5-Chloromethyl-2,3-dihydro-4H-1,2,4-triazol-3-one

252742-72-6

C3H4CIN3O

C3H4ClN3O

pharmacetical