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| CAS No.: | 56-05-3 |
|---|---|
| Name: | 2-Amino-4,6-dichloropyrimidine |
| Molecular Structure: | |
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|
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| 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
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 51.80000 |
| LogP: | 1.94680 |
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| 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% |
| 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 | 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 | Yield |
|---|---|
| With phosphorus pentachloride; trichlorophosphate |
- 56-05-3
2-Amino-4,6-dichloropyrimidine
| 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 | Yield |
|---|---|
| at 100℃; |
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate |
| 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 | 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 | 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%.
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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, |