CAS No.56-05-3,2-Pyrimidinamine,4,6-dichloro- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	56-05-3
Name:	2-Pyrimidinamine,4,6-dichloro-
Article Data:	24
Cas Database

Formula:	C₄H₃Cl₂N₃
Molecular Weight:	163.994
Synonyms:	Pyrimidine,2-amino-4,6-dichloro- (6CI,7CI,8CI);(4,6-Dichloropyrimidin-2-yl)amine;4,6-Dichloro-2-aminopyrimidine;4,6-Dichloro-2-pyrimidinamine;NSC 18698;Py 11;4,6-dichloropyrimidin-2-amine;
EINECS:	200-253-9
Density:	1.606 g/cm³
Melting Point:	219-222 °C(lit.)
Boiling Point:	348.5 °C at 760 mmHg
Flash Point:	164.6 °C
Solubility:	Insoluble in water, soluble in acetone, two monomer (VCM) and thermal toluene.
Appearance:	light brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-24/25
Transport Information:	N/A
PSA:	51.80000
LogP:	1.94680

Synthetic route

: 56-09-7
2-aminopyrimidine-4,6-diol

: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate at 40 - 90℃; for 2h;	98.8%
With bis(trichloromethyl) carbonate In toluene at 70 - 75℃; for 6h; Reagent/catalyst; Temperature; Solvent;	92%
With thionyl chloride for 4h; Reagent/catalyst; Temperature; Reflux;	92.7%

: 3764-01-0
2,4,6-trichloropyrimidine

: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With sodium amide for 16h; Substitution; Heating;	29%

: 3764-01-0
2,4,6-trichloropyrimidine

A: 10132-07-7
4-amino-2,6-dichloropyrimidine

B: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With ethanol; ammonia
With ethanol; ammonia at 100℃;
With ethanol; ammonia at 20℃;
With sodium amide In dimethyl sulfoxide at 20℃; for 120h; Substitution;	A 244 mg B 55 mg

: 4425-67-6
2-aminopyrimidine-4,6-diol

A: 56-05-3
2-Amino-4,6-dichloropyrimidine

B: 51501-53-2
2-amino-4,5,6-trichloropyrimidine

Conditions

Conditions	Yield
With phosphorus pentachloride; trichlorophosphate

N.N'-malonyl-guanidine: N.N'-malonyl-guanidine

: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With trichlorophosphate

: 3764-01-0
2,4,6-trichloropyrimidine

: 7664-41-7
ammonia

A: 10132-07-7
4-amino-2,6-dichloropyrimidine

B: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
at 100℃;

...Expand

: 56-09-7
2-amino-6-hydroxy-pyrimidin-4(3H)-one

: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate

: 1194-21-4
2-amino-6-chloro-4-pyrimidinol

: 56-05-3
2-Amino-4,6-dichloropyrimidine

Conditions

Conditions	Yield
With tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate In acetonitrile at 110℃; for 0.333333h;

: 56-05-3
2-Amino-4,6-dichloropyrimidine

: 24424-99-5
di-tert-butyl dicarbonate

: 847675-82-5
tert-butyl N-tert-butoxycarbonyl-N-(4,6-dichloropyrimidin-2-yl)carbamate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 20℃;	100%
With dmap In tetrahydrofuran at 20℃; for 16h;	97%
With dmap In dichloromethane at 20℃; for 30h;	97%

: 56-05-3
2-Amino-4,6-dichloropyrimidine

: 850567-92-9
(4-methylcyclohex-1-en-1-yl)boronic acid

: 1013111-70-0
4-chloro-6-(4-methylcyclohex-1-en-1-yl)pyrimidin-2-amine

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran; water at 80℃; for 18h;	100%

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Specification

The 4,6-Dichloro-2-pyrimidinamine is an organic compound with the formula C₄H₃Cl₂N₃. The IUPAC name of this chemical is 4,6-dichloropyrimidin-2-amine. With the CAS registry number 56-05-3, it is also named as 2-Amino-4, 6-dichloropyrimidine. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine; Pyrimidines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; PyrimidinesHeterocyclic Building Blocks. Besides, it is a light brown crystalline powder, which should be stored in a closed place. It is used as biochemical reagents.

Physical properties about 4,6-Dichloro-2-pyrimidinamine are: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 3.29; (5)ACD/BCF (pH 7.4): 3.29; (6)ACD/KOC (pH 5.5): 81.56; (7)ACD/KOC (pH 7.4): 81.56; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 29.02 Å²; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 36.46 cm³; (13)Molar Volume: 102 cm³; (14)Polarizability: 14.45×10^-24cm³; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.606 g/cm³; (17)Flash Point: 164.6 °C; (18)Enthalpy of Vaporization: 59.29 kJ/mol; (19)Boiling Point: 348.5 °C at 760 mmHg; (20)Vapour Pressure: 5.01E-05 mmHg at 25°C.

Uses of 4,6-Dichloro-2-pyrimidinamine: it can be used to produce 4,6-di-pyrrolidin-1-yl-pyrimidin-2-ylamine by heating. The reaction time is 201 min. The yield is about 6.8%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)c1)N
(2)InChI: InChI=1/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
(3)InChIKey: JPZOAVGMSDSWSW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
(5)Std. InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	1500mg/kg (1500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0892-10223,