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| CAS No.: | 1606-49-1 |
|---|---|
| Name: | 1,4,5,6-TETRAHYDROPYRIMIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H8N2 |
| Molecular Weight: | 84.1209 |
| Synonyms: | 1,4,5,6-Tetrahydropyrimidine;NSC 72087; |
| Density: | 1.08 g/cm3 |
| Melting Point: | 88-89 °C |
| Boiling Point: | 268.1 °C at 760 mmHg |
| Flash Point: | 115.9 °C |
| Appearance: | Viscous colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 24.39000 |
| LogP: | -0.22760 |
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Specification
The Pyrimidine,1,4,5,6-tetrahydro- is an organic compound with the formula C4H8N2. The IUPAC name of this chemical is 1,4,5,6-Tetrahydropyrimidine. With the CAS registry number 1606-49-1, it is also named as 1,4,5,6-Tetrahydropyrimidine hydrochloride. The product's categories are Heterocyclic Compounds; Bases and Related Reagents; Heterocycles; Nucleotides; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Besides, it should be stored at 2-8 °C.
Physical properties about Pyrimidine,1,4,5,6-tetrahydro- are: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -2.69; (3)ACD/LogD (pH 7.4): -2.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 15.6 Å2; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 24.53 cm3; (13)Molar Volume: 77.1 cm3; (14)Polarizability: 9.72×10-24 cm3; (15)Surface Tension: 39.5 dyne/cm; (16)Density: 1.08 g/cm3; (17)Flash Point: 115.9 °C; (18)Enthalpy of Vaporization: 50.61 kJ/mol; (19)Boiling Point: 268.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00785 mmHg at 25 °C.
Preparation: this chemical can be prepared by Dimethoxymethyl-dimethyl-amine. The reaction time is 30 min with reaction temperature of 90 - 110 °C. The yield is about 90%.
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Uses of Pyrimidine,1,4,5,6-tetrahydro-: it can be used to produce 1-(Toluene-4-sulfonyl)-1,4,5,6-tetrahydro-pyrimidine. It will need reagent triethylamine and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 91%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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)InChI: InChI=1/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)
(2)InChIKey: VBXZSFNZVNDOPB-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)
(4)Std. InChIKey: VBXZSFNZVNDOPB-UHFFFAOYSA-N