CAS 3764-01-0|2,4,6-Trichloropyrimidine|pyrimidine, 2,4,6-trichloro-|2,4,6-trichloropyrimidine|2,4,6-三氯嘧啶|2,4,6-Trichloropyrimidine|2,4,6-Trichloro-pyrimidine|NSC 6494|2,4,6-Trichloropyrimidine ...

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

DPVIABCMTHHTGB-UHFFFAOYSA-N

c1(nc(cc(n1)Cl)Cl)Cl

H Acceptors

H Donor

LogD (pH = 5.5)

2.6067295

LogD (pH = 7.4)

2.6067295

Log P

2.6067295

Molar Refractivity

39.9531

Polarizability

14.644699

Polar Surface Area

25.78

Rotatable Bonds

Lipinski's Rule of Five

true

2,4,6-Trichloropyrimidine2,4,6-三氯嘧啶2,4,6-Trichloropyrimidine2,4,6-Trichloro-pyrimidineNSC 64942,4,6-Trichloropyrimidine 98%2,4,6-Trichloro-1,3-diazine

IUPAC Traditional name

pyrimidine, 2,4,6-trichloro-

2,4,6-trichloropyrimidine

Click here to submit data

T56200

Packaging
25 g in glass bottle

T774180

Fungitoxic substance.

• Coteron, J., et al.: J. Med. Chem., 53, 6129 (2010)

• Read, M., et al.: Bioorg. Med. Chem., 18, 3885 (2010)

• Selective Suzuki coupling with arylboronic acids has been reported to give 6-arylpyrimidines: J. Heterocycl. Chem., 43, 127 (2006).

Names and Identifiers

Synonyms

2,4,6-Trichloropyrimidine2,4,6-三氯嘧啶2,4,6-Trichloropyrimidine2,4,6-Trichloro-pyrimidineNSC 64942,4,6-Trichloropyrimidine 98%2,4,6-Trichloro-1,3-diazine

IUPAC Traditional name

pyrimidine, 2,4,6-trichloro-

IUPAC name

2,4,6-trichloropyrimidine

Registration numbers

PubChem CID

77378

PubChem SID

1609875392490030124889479

MDL Number

CAS Number

EC Number

Beilstein Number

Molecule Details

T56200

Packaging
25 g in glass bottle

TRC

T774180

Fungitoxic substance.

References

PubChem Literature

From Data Sources

• Coteron, J., et al.: J. Med. Chem., 53, 6129 (2010)

• Read, M., et al.: Bioorg. Med. Chem., 18, 3885 (2010)

• Selective Suzuki coupling with arylboronic acids has been reported to give 6-arylpyrimidines: J. Heterocycl. Chem., 43, 127 (2006).

Bioactivity

PubChem BioAssay

TSCA Listed

true

是

GHS Signal Word

Warning

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H314

GHS Precautionary statements

P261-P280-P305+P351+P338

P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Risk Statements

20/21/22-36/37/38

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

European Hazard Symbols

Harmful (Xn)

Corrosive (C)

Safety Statements

26-36

26-36/37/39-45

German water hazard class

Storage Condition

Refrigerator

Hazard Class

Packing Group

III

UN Number

UN1759

Density

1.595

1.595 g/mL at 20 °C(lit.)

Flash Point

113°C

235.4 °F

113 °C

>110°C(230°F)

Refractive Index

1.5700

n20/D 1.57(lit.)

n20/D 1.570

Transition Temperature

solidification point 22-25 °C

Apperance

Colorless to Pale Yellow Oil

Solubility

Chloroform

Ethyl Acetate

Hydrophobicity(logP)

1.883

Molecule

ID:24232