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| CAS No.: | 144927-57-1 |
|---|---|
| Name: | ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8ClN3O2 |
| Molecular Weight: | 225.634 |
| Synonyms: | 1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid, 4-chloro-, ethyl ester (9CI); |
| Density: | 1.459 g/cm3 |
| Melting Point: | 140-141 °C |
| Boiling Point: | 397.056 °C at 760 mmHg |
| Flash Point: | 193.933 °C |
| PSA: | 67.87000 |
| LogP: | 1.78800 |
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Specification
Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate , with the CAS register number 144927-57-1 has the systematic name of ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate . It is also be known to us as the 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid,4-chloro-,ethyl ester and MFCD11518913 .
The Characteristics of this kind of chemical: (1)ACD/LogP: 1.82 ; (2)ACD/LogD (pH 5.5): 1 ; (3)ACD/LogD (pH 7.4): 1 ; (4)ACD/BCF (pH 5.5): 6 ; (5) ACD/BCF (pH 7.4): 6 ; (6)ACD/KOC (pH 5.5): 122 ; (7)ACD/KOC (pH 7.4): 121 ; (8)#H bond acceptors: 5 ; (9)#H bond donors: 1 ; (10)#Freely Rotating Bonds: 3 ; (11)Polar Surface Area: 67.87 ; (12)Index of Refraction: 1.644 ; (13)Molar Refractivity: 56.012 cm3 ; (14)Molar Volume: 154.669 cm3 ; (15)Polarizability: 22.205 ×10-24cm3 ; (16)Surface Tension: 65.201 dyne/cm ; (17)Density: 1.459 g/cm3 ; (18)Flash Point: 193.933 °C ; (19)Enthalpy of Vaporization: 64.744 kJ/mol ; (20)Boiling Point: 397.056 °C at 760 mmHg .
This kind of chemical belongs to the product categories of CHIRAL CHEMICALS, and it is usually used in the chemistry and pharmaceutics. In addition, you could also refer the following data information to obtain the molecular structure:
SMILES: Clc1ncnc2c1c(cn2)C(=O)OCC
InChI: InChI=1/C9H8ClN3O2/c1-2-15-9(14)5-3-11-8-6(5)7(10)12-4-13-8/h3-4H,2H2,1H3,(H,11,12,13)
InChIKey: PCLIRPRTLSCXET-UHFFFAOYAY
As for the market information, it has many suppliers such as BePharm,Ltd. which provide this chemical with the packing of 1g;10g;100g;1kg;10kg. And there are other suppliers, such as Shangchem Co., Ltd.