5-Bromo-2,4,6-trichloropyrimidine supplier

Name
5-Bromo-2,4,6-trichloropyrimidine
EINECS
CAS No. 63931-21-5
Density 2.051 g/cm³
Solubility
Melting Point
Formula C₄BrCl₃N₂
Boiling Point 286.602 °C at 760 mmHg
Molecular Weight 262.32
Flash Point 127.133 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2,4,6-trichloropyrimidine;Pyrimidine, 5-bromo-2,4,6-trichloro-
PSA 25.78000
LogP 3.19930

Synthetic route

: 371-40-4
4-fluoroaniline

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 20 - 25℃; for 18h;	90%
With sodium acetate In tetrahydrofuran; water at 20℃; for 18h;	90%

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 3863-11-4
3,4-difluoroaniline

: 5-bromo-2,6-dichloro-N-(3,4-difluorophenyl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 20 - 25℃; for 18h;	86%

: 262852-11-9
3-(trifluoromethyl)-bicyclo[1.1.1]pentan-1-amine hydrochloride

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)pyrimidin-4-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 25℃; for 7h;	80%

: 2106-02-7
2-chloro-4-fluoroaniline

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine

Conditions

Conditions	Yield
Stage #1: 2-chloro-4-fluoroaniline With lithium hexamethyldisilazane In tetrahydrofuran; ethylbenzene at 0 - 5℃; for 0.25h; Stage #2: 5-bromo-2,4,6-trichloropyrimidine With lithium hexamethyldisilazane In tetrahydrofuran; ethylbenzene at 0 - 25℃; for 18h;	79%

: 637031-93-7
3,3-difluorocyclobutylamine hydrochloride

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 25℃; for 7h;	73%

: 367-25-9
2,4-difluorophenylamine

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(2,4-difluorophenyl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 20 - 25℃; for 18h;	69%

: 4-fluoro-N-(3-methylbut-3-en-1-yl)aniline

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(4-fluorophenyl)-N-(3-methylbut-3-en-1-yl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 20 - 25℃; for 18h;	61%

: 4519-40-8
2,3-difluoroanilline

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 5-bromo-2,6-dichloro-N-(2,3-difluorophenyl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 20 - 25℃; for 18h;	42%

: 27467-92-1
3-amino-6-chloropyridine-2<1H>-thione

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 63931-19-1
2,4,7-trichloro-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine

Conditions

Conditions	Yield
With sulfuric acid; sodium sulfite Heating;

: 42362-14-1
5-amino-6-methoxypyridine-2<1H>-thione

: 63931-21-5
5-bromo-2,4,6-trichloropyrimidine

: 63931-17-9
2,4-dichloro-7-methoxy-10H-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine

Conditions

Conditions	Yield
With sulfuric acid; sodium sulfite Heating;

5-Bromo-2,4,6-trichloropyrimidine Specification

The CAS registry number of 5-Bromo-2,4,6-trichloropyrimidine is 63931-21-5. This chemical's molecular formula is C₄BrCl₃N₂ and molecular weight is 259.83. What's more, its IUPAC name is the same with its product name.

Physical properties about 5-Bromo-2,4,6-trichloropyrimidine are: (1)ACD/LogP: 2.781; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.52; (6)ACD/BCF (pH 7.4): 76.52; (7)ACD/KOC (pH 5.5): 776.25; (8)ACD/KOC (pH 7.4): 776.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 44.811 cm³; (15)Molar Volume: 127.918 cm³; (16)Polarizability: 17.764×10^-24cm³; (17)Surface Tension: 58.44 dyne/cm; (18)Density: 2.051 g/cm³; (19)Flash Point: 127.133 °C; (20)Enthalpy of Vaporization: 50.463 kJ/mol; (21)Boiling Point: 286.602 °C at 760 mmHg; (22)Vapour Pressure: 0.0050 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(Cl)nc(Cl)nc1Cl
(2) InChI: InChI=1S/C4BrCl3N2/c5-1-2(6)9-4(8)10-3(1)7
(3) InChIKey: GKTWIIVEUYLSCS-UHFFFAOYSA-N

Product Name

5-Bromo-2,4,6-trichloropyrimidine

Synthetic route

5-Bromo-2,4,6-trichloropyrimidine Specification

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