2,4,6-Trichloropyrimidine

Basic Information

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CAS Number

3764-01-0

Molecular Formula

C4HCl3N2

Molecular Weight

183.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Sticky Oil to Solid

Melting Point

23-25 °C

Boiling Point

210-215 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.57(lit.)

SMILES

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C1=C(N=C(N=C1Cl)Cl)Cl

InChI

InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H

InChIKey

DPVIABCMTHHTGB-UHFFFAOYSA-N

LogP

2.4368

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

89.8

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

EN300-15137
2,4,6-Trichloropyrimidine, 97%
NSC6494
PS-5328
InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1
FT-0609856
Tox21_202916
2,4,6-Trichloropyrimidine
EINECS 223-183-0
A6424
CHEMBL3187275
CCRIS 7597
BP-10681
2,4,6-trichloro-pyrimidine
2,4,6-trichloro pyrimidine
SY001498
AC-2473
ESA3TV26AP
Z104510074
NS00030234
DTXSID5049287
Pyrimidine, 2,4,6-trichloro-
NSC-6494
MFCD00006063
2,6-Trichloropyrimidine
3764-01-0
CAS-3764-01-0
CS-W008766
DTXCID4029143
AKOS003628496
NSC 6494

MDL Number

MFCD00006063

Customs Code

2933599090

FAQ

What is 2,4,6-Trichloropyrimidine (CAS: 3764-01-0)?

2,4,6-Trichloropyrimidine (CAS: 3764-01-0) is a synthetic organic compound with the chemical formula C5H3Cl3N2. It is a chlorinated derivative of pyrimidine, a six-membered heterocyclic aromatic ring. The compound exhibits moderate solubility in organic solvents and is commonly used in chemical synthesis due to its reactivity and structural versatility.

What are the main uses of 2,4,6-Trichloropyrimidine (CAS: 3764-01-0)?

2,4,6-Trichloropyrimidine (CAS: 3764-01-0) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in agrochemicals, particularly in the development of herbicides and insecticides. In research settings, it is utilized for the synthesis of other nitrogen-containing compounds and in the study of chemical reactivity.

Is 2,4,6-Trichloropyrimidine (CAS: 3764-01-0) safe?

2,4,6-Trichloropyrimidine (CAS: 3764-01-0) is considered hazardous and should be handled with care. It may cause skin and eye irritation, and inhalation can lead to respiratory issues. Safety standards recommend using appropriate personal protective equipment (PPE) and following proper ventilation procedures when working with this compound. It is not classified as safe for use in food or consumer products.

How should 2,4,6-Trichloropyrimidine (CAS: 3764-01-0) be stored?

2,4,6-Trichloropyrimidine (CAS: 3764-01-0) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container made of inert material such as glass or stainless steel. Avoid exposure to moisture and incompatible substances to ensure stability and safety.