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Name	Pyrimidine,2-chloro-4-phenyl-	EINECS	N/A
CAS No.	13036-50-5	Density	1.245g/cm³
PSA	25.78000	LogP	2.79700
Solubility	N/A	Melting Point	86 °C
Formula	C₁₀H₇ClN₂	Boiling Point	368.3 °C at 760 mmHg
Molecular Weight	190.632	Flash Point	208.1 °C
Transport Information	N/A	Appearance	N/A
Safety	26-39	Risk Codes	22-37/38-41
Molecular Structure		Hazard Symbols	Xn
Synonyms	2-Chloro-4-phenylpyrimidine;2-Chloro-6-phenylpyrimidine;	Article Data	45

Pyrimidine,2-chloro-4-phenyl- Synthetic route

: 3934-20-1
2,6-Dichloropyrimidine

: 98-80-6
phenylboronic acid

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium carbonate In ethanol; water at 70℃; for 10h; Catalytic behavior; Suzuki-Miyaura Coupling;	87%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 4h; Inert atmosphere; Reflux;	86%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; toluene for 4h; Inert atmosphere; Reflux;	86%

: 108-86-1
bromobenzene

: sodium 2-chloropyrimidine-4-sulfinate

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; palladium diacetate; potassium carbonate In 1,4-dioxane at 100℃; for 18h; Inert atmosphere;	84%

: 3934-20-1
2,6-Dichloropyrimidine

: 98-80-6
phenylboronic acid

A: 13036-50-5
2-chloro-4-phenylpyrimidine

B: 25095-48-1
2,4-diphenylpyrimidine

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In methanol; benzene for 4h; Phenylation; Heating;	A 80% B 10%

: 3934-20-1
2,6-Dichloropyrimidine

: 38111-44-3
phenylzinc(II) bromide

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃;	64%
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃;
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃;

: 3934-20-1
2,6-Dichloropyrimidine

: 960-16-7
tributylphenylstannane

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 80℃; for 10h;	60%

: 34441-01-5
N-(1-phenylethylidene)cyanamide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 20℃; for 0.166667h; Vilsmeier Reaction; Stage #2: N-(1-phenylethylidene)cyanamide at 20 - 130℃; for 1.5h;	60%

: 1722-12-9
2-chloropyrimidine

: 100-59-4
phenylmagnesium chloride

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 8h;	49%

: 1722-12-9
2-chloropyrimidine

: 98-80-6
phenylboronic acid

: 13036-50-5
2-chloro-4-phenylpyrimidine

Conditions

Conditions	Yield
With manganese(III) triacetate dihydrate In ethanol at 170℃; for 0.166667h; Microwave irradiation; regioselective reaction;	48%

: 80830-43-9
2-Amino-4-phenylpyrimidine 1-Oxide

A: 13036-50-5
2-chloro-4-phenylpyrimidine

B: 85658-58-8
2-chloro-4-phenylpyrimidine 1-oxide

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite at 0℃; for 2h;	A 12% B 46%
With hydrogenchloride; lithium chloride; sodium nitrite In acetic acid	A 12% B 46%

: 2305-87-5
4-phenylpyrimidin-2-amine

A: 13036-50-5
2-chloro-4-phenylpyrimidine

B: 38675-31-9
2-hydroxy-4-phenylpyrimidine

Conditions

Conditions	Yield
With hydrogenchloride; lithium chloride; sodium nitrite In acetic acid	A 35% B 20%

Pyrimidine,2-chloro-4-phenyl- Specification

The Pyrimidine,2-chloro-4-phenyl-, with CAS registry number 13036-50-5, belongs to the following product categories: (1)Amines; (2)Blocks; (3)APIs & Intermediate; (4)Pyrimidine; (5)Pharmacetical. It has the systematic name of 2-chloro-4-phenylpyrimidine. This chemical should be kept cold. And the chemical formula of this chemical is C₁₀H₇ClN₂.

Physical properties of Pyrimidine,2-chloro-4-phenyl-: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.95; (6)ACD/BCF (pH 7.4): 23.95; (7)ACD/KOC (pH 5.5): 337.96; (8)ACD/KOC (pH 7.4): 337.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 51.92 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 208.1 °C; (20)Enthalpy of Vaporization: 59.07 kJ/mol; (21)Boiling Point: 368.3 °C at 760 mmHg; (22)Vapour Pressure: 2.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(c1ccccc1)ccn2
(2)InChI: InChI=1/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: AAZYJKNISGEWEV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: AAZYJKNISGEWEV-UHFFFAOYSA-N

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