N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide
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Basic information
- CAS
66065-85-8- Standard SMILES
O=C(OCC(Cl)(Cl)Cl)ON1C(=O)CCC1=O- InChIKey
WBZXNGAFYBGQFE-UHFFFAOYSA-N- Molecular formula
- C7H6Cl3NO5
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 288.931155
Names & identifiers
- Preferred name
- N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate
- English name
- N-(2,2,2-TRICHLOROETHOXYCARBONYLOXY)SUCCINIMIDE
- Molecular formula
- C7H6Cl3NO5
- Molecular weight
- 290.49
Names & synonyms
N-(2,2,2-Trichloroethoxycarbonyloxy)succinimideRefChem:823732627-784-266065-85-82,5-Dioxopyrrolidin-1-yl (2,2,2-trichloroethyl) carbonateSuccinimidyl 2,2,2-trichloroethyl carbonate(2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl CarbonateC7H6Cl3NO5MFCD000752162,5-DIOXOPYRROLIDIN-1-YL 2,2,2-TRICHLOROETHYL CARBONATEAKOS015900716CS-0186512
Show more names
Troc-OSUSuccinimidyl 2,2,2-trichloroethyl carbon2,2,2-trichloroethyl succinimidyl carbonateN-(2,2,2-Trichloroethoxycarbonyloxy)succinimN-Succinimidyl 2,2,2-Trichloroethyl CarbonateTroc-OSU Succinimidyl-2,2,2-trichloroethylcarbonateSuccinimidyl-2,2,2-trichloroethyl carbonate(Troc-Osu)
1-{[(2,2,2-Trichloroethoxy)carbonyl]oxy}pyrrolidine-2,5-dioneCarbonic Acid N-Troc-OSU, Succinimidyl-2,2,2-trichloroethyl carbonateFT-0699722SCHEMBL57126252,5-Dioxopyrrolidin-1-yl(2,2,2-trichloroethyl)carbonateDTXSID80400605WBZXNGAFYBGQFE-UHFFFAOYSA-N
Database identifiers
- CAS
66065-85-8- PubChem CID
- 4192178
- DTXSID
DTXSID80400605- EC Number
- 627-784-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 111 · 111-113 °C(lit.)
- Boiling point
- 327.5 · 327.5±52.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 2 Cl2, · Soluble in dioxane, THF, DMF, CH2Cl2, alcohols, and most common organic solvents.
- form
- powder to crystal
- color
- White to Almost white
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2
- InChIKey
- WBZXNGAFYBGQFE-UHFFFAOYSA-N
- SMILES
- C(OCC(Cl)(Cl)Cl)(=O)ON1C(=O)CCC1=O
- CAS DataBase Reference
- 66065 · 66065-85-8
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard 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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- F
- 10-21
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29280000
- risk_code
- 20/21/22-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 26-27-28-36/37/39-60-36/37-9
- Hazard statements
- H315-H302-H312-H319-H332-H335-H301-H311
- Precautionary statements
- P301+P310a-P405-P501a-P261-P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesN-(2,2,2-Trichloroethoxycarbonyloxy)succinimide was used in the synthesis of methyl [phenyl 5-(2,2,2-trichloroethoxycarbonylamino)-3,5-dideoxy-2-thio-β-D-glycero-D-galacto-2-nonulopyranosid]-onate; and phenyl 3,4-di-O-benzyl-6-O-(tert-butyl-dimethyl-silyl)-1-selanyl-2-(2,2,2-trichloroethoxycarbonylamine)-β-D-galactopyranoside.
Related reactions
3 records
Compound notes
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