Basic information
- CAS
113826-06-5- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1- InChIKey
NOQXXYIGRPAZJC-SECBINFHSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.04562986
Names & identifiers
- Preferred name
- Glycidyl tosylate, (R)-
- IUPAC
- [(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonate
- English name
- (2R)-(-)-Glycidyl tosylate
- Molecular formula
- C10H12O4S
- Molecular weight
- 228.26
Names & synonyms
113826-06-5(2R)-(-)-Glycidyl tosylate(R)-Glycidyl tosylate(-)-Glycidyl tosylate(2R)-(-)-Glycidyl p-toluenesulfonateGlycidyl tosylate, (R)-2-Oxiranemethanol, 2-(4-methylbenzenesulfonate), (2R)-CCRIS 6399BRN 359214262V982IWIIGLYCIDYL TOSYLATE, (-)-(R)-(-)-OXIRAN-2-YLMETHYL 4-METHYLBENZENESULFONATE
Show more names
Oxiran-2-ylmethyl 4-methylbenzenesulfonate(2R)-(−2,2'-IMINOSTILBENERARECHEM AK HZ 0050)-Glycidyl tosylate(R)-Glycidil TosylateLABOTEST-BB LT00440878pre-miR-372 inhibitor 3(R)-(-)-GLYCIDYL TOSYLATE
RefChem:663614601-283-9(R)-(-)-Glycidyltosylate(2r)-(-)-glycidyltosylate(R)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate(2R)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate[(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonateMFCD00010834
Database identifiers
- CAS
113826-06-5- PubChem CID
- 154187
- DTXSID
DTXSID00150574- UNII
- 62V982IWII
- EC Number
- 601-283-9
- Nikkaji
- J534.804H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 46 · 46-49 °C(lit.)
- Boiling point
- 340.07 °C · 340.07°C (rough estimate)
- alpha
- -18 · -18 º (c=2.5,CHCl3)
- Density
- 1.3749 · 1.3749 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · dioxane: 50 mg/mL, clear
- form
- powder
- color
- yellow to orange
- optical activity
- -19.9 ° · -19.9° (C=1 g/100ml CHCL3)
- Water Solubility
- decomposes
- BRN
- 3592142 · 3592142
- InChI
- InChI=1/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/s3
- InChIKey
- NOQXXYIGRPAZJC-DJEYLCQNNA-N
- SMILES
- C1(=CC=C(C)C=C1)S(=O)(=O)OC[C@@H]1OC1 |&1:12,r|
- CAS DataBase Reference
- 113826 · 113826-06-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 62 V982IWII · 62V982IWII
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318-H341-H350-H411
- Precautionary statements
- 201 · P201-P273-P280-P302+P352-P305+P351+P338+P310-P308+P313
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xn,N,T
- Risk Statements
- 45 · 45-41-43-51/53-68
- Safety Statements
- 61 · 61-45-36/37/39-26-53
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 510000 · RR0510000
- F
- 3 · 3-10-21
- Hazard Note
- Irritant
- HazardClass
- 9 · 9
- HS Code
- 29109000 · 29109000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 2 Carc · Aquatic Chronic 2Carc. 1BEye Dam. 1Muta. 2Skin Sens. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P203, P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P354+P338, P317, P318, P342+P316, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (97.6%)
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- RR0510000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29109000
- risk_code
- 45-41-43-51/53-68
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08,GHS09
- hazard_code
- Xn,N,T
- hazard_note
- Irritant
- safety_code
- 61-45-36/37/39-26-53
- hazard_class
- 9
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H317-H318-H341-H350-H411
- Hazard Classifications
- Aquatic Chronic 2Carc. 1BEye Dam. 1Muta. 2Skin Sens. 1
- Precautionary statements
- P201-P273-P280-P302+P352-P305+P351+P338+P310-P308+P313
Chemistry & industry
Applications
Uses(2R)-(-)-Glycidyl Tosylate is a protected glycidol used as an intermediate in the preparation of neurochemicals.
Uses(2R)-(-)-Glycidyl tosylate may be used to prepare:1-O-hexadecyl-sn-glycerol 3-O-p-toluenesulfonate by reacting with 1-hexadecanol in the presence of boron trifluoride etherate. 4-Oxiranylmethoxy-(1H)-indole by reacting with 4-hydroxyindole in the presence of sodium hydride.[18F]Epifluorohydin, an intermediate for preparing of [18F]fluoromisonidazole.It can also be used as a starting material in the synthesis of 1,2-diacyl-sn-3-glycerophosphocholines.
UsesProtected Glycidol, (2R)-(-)-Glycidyl tosylate is used as an intermediate in the preparation of neurochemicals.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
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Related reactions
161 records
Compound notes
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