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| CAS No.: | 21740-23-8 |
|---|---|
| Name: | 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose |
| Molecular Structure: | |
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| Formula: | C19H15Cl3O5 |
| Molecular Weight: | 429.684 |
| Synonyms: | D-erythro-Pentofuranosylchloride, 2-deoxy-, bis(p-chlorobenzoate), a- (8CI);a-D-erythro-Pentofuranosyl chloride, 2-deoxy-, bis(4-chlorobenzoate) (9CI);Benzoic acid, p-chloro-, diester with 2-deoxy-a-D-erythro-pentofuranosyl chloride (8CI);1-Chloro-2-deoxy-3,5-O-bis(p-chlorobenzoyl)-a-D-erythro-pentofuranose;2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-a-D-erythro-pentofuranosylchloride;2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-a-D-ribofuranosyl chloride;3,5-Bis(4-chlorobenzoyl)-2-deoxy-a-D-ribofuranosyl chloride;3,5-Di-O-(p-chlorobenzoyl)-2-deoxy-a-D-erythro-pentofuranosylchloride;3,5-O-Bis(p-chlorobenzoyl)-2-deoxy-a-D-ribofuranosyl chloride;NSC 140594;[5-Chloro-2-[(4-chlorobenzoyl)oxymethyl]oxolan-3-yl] 4-chlorobenzoate; |
| EINECS: | 606-827-9 |
| Density: | 1.46 g/cm3 |
| Melting Point: | 110-118 °C (dec.) |
| Boiling Point: | 530.6 °C at 760 mmHg |
| Flash Point: | 193 °C |
| Appearance: | White solid |
| PSA: | 61.83000 |
| LogP: | 4.72960 |
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Specification
The CAS register number of 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose is 21740-23-8. It also can be called as a-D-erythro-Pentofuranosylchloride, 2-deoxy-, 3,5-bis(4-chlorobenzoate) and the IUPAC name about this chemical is [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate. The molecular formula about this chemical is C19H15Cl3O5 and the molecular weight is 429.68.
Physical properties about 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 61.83Å2; (6)Index of Refraction: 1.61; (7)Molar Refractivity: 101.71 cm3; (8)Molar Volume: 293.2 cm3; (9)Polarizability: 40.32x10-24cm3; (10)Surface Tension: 57.3 dyne/cm; (11)Enthalpy of Vaporization: 80.6 kJ/mol; (12)Boiling Point: 530.6 °C at 760 mmHg; (13)Vapour Pressure: 2.42E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1C(OC(Cl)C1)COC(=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3
(2)InChI: InChI=1/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2
(3)InChIKey: QEHCZULNFYDPPL-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2
(5)Std. InChIKey: QEHCZULNFYDPPL-UHFFFAOYSA-N