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Basic information
- CAS
4330-21-6- Standard SMILES
Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1- InChIKey
FJHSYOMVMMNQJQ-OTWHNJEPSA-N- Molecular formula
- C21H21ClO5
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.1077515
Names & identifiers
- Preferred name
- Hoffer's chlorosugar
- IUPAC
- [(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
- English name
- 2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate)
- Molecular formula
- C21H21ClO5
- Molecular weight
- 388.84
Names & synonyms
Hoffer's chlorosugarRefChem:7884184330-21-6(2R,3S,5R)-5-chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoateMFCD01630916Hoffer's Chlorosugar (~90%)2-Deoxy-alpha-D-erythropentofuranosyl chloride 3,5-bis(4-methylbenzoate)3,5-Di-O-(p-toluyl)-2-deoxy-D-ribofuranosyl chloride2-Deoxy-3,5-di-o-p-toluoyl-ribofuranosyl chloride[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate1-Chloro-2-deoxy-3,5-di-O-toluoyl-a-D-ribofuranose3,5-Di-O-toluoyl-alpha-1-chloro-2-deoxy-D-ribofuranose
Show more names
1-Chloro-2-deoxy-3,5-di-O-(4-toluoyl)-alpha-D-ribofuranoseNSC 148837Hoffer's alpha-chlorosugarDi-P-Toluoyl-Pentafuranosyl-Chloride3,5-bis(toluoyl)-2-deoxyribosyl chloride1-CHLORO-3,5-BIS[O-(4-TOLUOYL)]-2-DEOXYRIBOSE3,5-di-O-(P-toluyl)-2-deoxy-D-*ribofuranosyl chlo
2-deoxy-3,5-di-o-(p-toluoyl)-alpha-d-erythro-pentofuranosyl chloride(2R,3S,5R)-5-Chloro-2-[[(4-methylbenzoyl)oxy]methyl]tetrahydrofuran-3-yl 4-MethylbenzoateHoffer'schlorosugar2-Deoxy-3,5-di-O-p-toluoyl-?-D-erythro-pentofuranosyl Chloride; 1-Chloro-2-deoxy-3,5-di-O-p-toluoyl-?-D-erythro-pentofuranose; 1-Chloro-2-deoxy-3,5-di-O-p-toluoyl-?-D-ribose; 3,5-Di-O-p-toluyl-2-deoxy-?-D-ribofuranosyl Chloride; (2R,3S,5R)-5-Chloro-2-[[(4-methylbenzoyl)oxy]methyl]tetrahydrofuran-3-yl]-4-methylbenzoate;EINECS 224-367-3Hoffer's a-chlo ro sugarSCHEMBL336512Alpha-l-erythro-pentofuranosyl chloride-2-deoxy-bis(4-methyl benzoate)
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- 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
- 509
Physicochemical properties
- Melting point
- 117 · 117-119 °C
- Boiling point
- 518.4 · 518.4±50.0 °C(Predicted)
- Density
- 1.28 · 1.28
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol
- form
- Solid
- color
- Off-White to Light Grey
- Stability
- Moisture Sensitive
- InChI
- InChI=1/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19+/s3
- InChIKey
- XJHDINDXQMZBKW-XUVXKRRUSA-N
- SMILES
- [C@@H]1(Cl)O[C@H](COC(=O)C2=CC=C(C)C=C2)[C@@H](OC(=O)C2=CC=C(C)C=C2)C1 |&1:0,3,15,r|
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29321900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesHoffer''s Chlorosugar is a synthetic precursor for ribose glycosides and ribonucleosides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
南京迪恩赛尔生物科技有限公司19951952469 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
黄冈森阳化工有限公司0713-8205211 17671088222 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东海舟生物工程有限公司
Related reactions
7 records
Compound notes
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