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2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE

2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE structure

CAS No:
50270-27-4
Formula:
C5HCl3N2O
Chemical Name:
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE
Synonyms:
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE;2,4,6-Trichloro-5-pyrimidinecarboxaldehyde;2,4,6-Trichloropyrimidine-5-carboxaldehyde;5-Formyl-2,4,6-trichloropyrimidine;2,4,6-TrichloropyriMidin-5-carbaldehyde;5-PyriMidinecarboxaldehyde,2,4,6-trichloro-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE Basic Attributes

Molecular Weight：

211.43324

Exact Mass：

209.915451

DSSTox ID：

DTXSID00448827

HScode：

2933599090

Characteristics

PSA：

42.8

XLogP3：

2.5

Appearance：

White to brown Solid

Density：

1.7±0.1 g/cm3

Melting Point：

131-132℃

Boiling Point：

278.6°C at 760 mmHg

Flash Point：

122.3±25.9 °C

Refractive Index：

1.629

Water Solubility：

Slightly soluble in water.

Safety Information

Hazard category：

6.1

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (16.67%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE Use and Manufacturing

Intermediate M(l)A solution of pyrimidine-2, 4, 6-triol (10.0 g, 78.2 mmol), DMF (12 mL) in POClA mixture of pyrimidine-2, 4, 6-triol (20.0 g, 156 mmol) in DMF (20 mL) and POCI3 (200 mL)was refluxed overnight. The mixture was concentrated. The residue was poured into ice-water (1 L) and filtered. The solid was collected and purified by column chromatography (petroleum ether: ethyl acetate = 10: 1)to give the title compound (12.0 g, yield 36percent) as a yellow solid.1H NMR (CDCI3, 300 MHz): 6 10.41 (s, 1H).A mixture of barbituric acid (5 g, 78.1 mmol) in POClStep 1: DMF (24mL) was added drop-wise to POClTo a 25 ml dry two neck flask34.6 ml of POCl was added, Cooled in a low temperature cooling tank at -2 ° C, 0.6 ml of dry DMF was added dropwise, Compound 2 (1 g, 7.8 mmol) was added portionwise, The reaction was carried out at 120 ° C for 22 h, TLC detection (DCM: MeOH = 10: 1), The basic reaction of raw materials completely, The reaction solution was slowly poured into ice water, A yellow solid precipitation, Filtration gave a tan solid, EA extract filtrate, concentrate, Combine the column chromatography (PE: EA = 200: 1) to give white solid 3 (1.2 mg)Yield 75percent.2, 4, 6-Trichloropyrimidine-5-carbaldehydeDry DMF (33 ml) was added drop-wise to a cooled (10-15 (1)

Computed Properties

Molecular Weight:211.43
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:209.915446
Monoisotopic Mass:209.915446
Topological Polar Surface Area:42.8
Heavy Atom Count:11
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

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Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

High Quality 98% Purity of 2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE CAS 50270-27-4 ISO 9001:2005 REACH Verified Producer

CAS No.: 50270-27-4

Grade: Cosmetics Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

2,4,6-Trichloro-5-pyrimidinecarboxaldehyde

CAS No.: 50270-27-4

Content: 99.00%

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Guide of 2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE

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