[5-Chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
Basic information
- CAS
21740-23-8- Standard SMILES
O=C(OCC1OC(Cl)CC1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
QEHCZULNFYDPPL-UHFFFAOYSA-N- Molecular formula
- C19H15Cl3O5
- Average molar mass
- 429.7 g/mol
- Monoisotopic mass
- 427.998507
Names & identifiers
- Preferred name
- [5-Chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
- IUPAC
- [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
- English name
- 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose
- Molecular formula
- C19H15Cl3O5
- Molecular weight
- 429.67
Names & synonyms
[5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate(5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl)methyl 4-chlorobenzoateRefChem:403939606-827-921740-23-81-Chloro-3,5-di(4-chlorbenzoyl)-2-deoxy-D-riboseC19H15Cl3O5DTXSID409443533,5-bis-o-(4-chlorobenzoyl)-2-deoxypentofuranosyl chloride(2S,3R,5R)-5-Chloro-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoateLS-14701NSC140594
Show more names
Chloro sugarNSC 1405945G/25G/1KGChloride sugarOxygen-2-deoxy-D-riboseTrifluridine intermediatechlorobenzoyl)-2-deoxy-D-ribose3,5-O-bis(p-chlorobenzoyl)-2-deoxy-α-D-1-Cl-3,5-bis-(4-cl-bz)- 2-deoxy-D-ribofuranose1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose
Decitabin Chloro SugarSCHEMBL6406571(2R,3S)-5-Chloro-2-(((4-chlorobenzoyl)oxy)methyl)-tetrahydrofuran-3-yl 4-chlorobenzoateQEHCZULNFYDPPL-UHFFFAOYSA-N[5-chloro-3-(4-chlorobenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-chlorobenzoateAKOS015963291NSC-140594[(2S,3R,5R)-5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
Database identifiers
- CAS
21740-23-8- PubChem CID
- 284577
- DTXSID
DTXSID40944353- EC Number
- 606-827-9
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 110 · 110-118°C (dec.)
- Boiling point
- 530.6 · 530.6±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Not stable in Solution
- 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/t15-,16+,17-/s3
- InChIKey
- QEHCZULNFYDPPL-KIQRZSAINA-N
- SMILES
- C([C@H]1O[C@H](Cl)C[C@@H]1OC(C1C=CC(Cl)=CC=1)=O)OC(C1C=CC(Cl)=CC=1)=O |&1:1,3,6,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate (EC: 606-827-9)
Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediate used in the synthesis of nucleotide analogs.Unstable in solution!
Uses1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose is used in the synthesis of nucleotide analogs. Unstable in solution!
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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