Basic information
- CAS
54714-11-3- Standard SMILES
O=c1oc2c(o1)=C(c1ccccc1)S(=O)(=O)C=2c1ccccc1- InChIKey
UEOYFCIGZWQXTP-UHFFFAOYSA-N- Molecular formula
- C17H10O5S
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.02489459
Overview
activating agent for peptide synthesis; structure
Names & identifiers
- Preferred name
- Thieno(3,4-d)-1,3-dioxol-2-one, 4,6-diphenyl-, 5,5-dioxide
- IUPAC
- 5,5-dioxo-4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
- English name
- 4,6-DIPHENYLTHIENO[3,4-D]-1,3-DIOXOL-2-ONE 5,5-DIOXIDE
- Molecular formula
- C17H10O5S
- Molecular weight
- 326.32
Names & synonyms
54714-11-34,6-Diphenylthieno(3,4-d)(1,3)dioxol-2-one-5,5-dioxideRefChem:897728Thieno3,4-d-1,3-dioxol-2-one, 4,6-diphenyl-, 5,5-dioxideThieno(3,4-d)-1,3-dioxol-2-one, 4,6-diphenyl-, 5,5-dioxide259-301-24,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one 5,5-dioxide5,5-dioxo-4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one4,6-Diphenylthieno(3,4-d)-1,3-dioxol-2-one 5,5-dioxide4,6-Diphenylthieno[2,4-d]-1,3-dioxol-2-one-5,5-dioxideC17H10O5S
Show more names
SteglichsTDO-CARBONATESTEGLICH'S REAGENTtdo activated carbonateDiphenylenethiodoxolonedioxideSteglichs reagent, TDO-carbonate4,6-DIPHENYLTHIENO(3,4-D)-1,3-DIOXOL-2-O4,6-diphenylthieno(3,4-D)-1,3-dioxol-2-one 5,5-di4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one5,5-dio4,6-DIPHENYLTHIENO(3,4-D)-1,3-DIOXOL-*2-ONE 5,5-DIOX
4,6-diphenylthiolo[3,4-d]1,3-dioxolane-2,5,5-trioneEINECS 259-301-2MFCD00040564Maybridge4_001784SCHEMBL65330BIDD:GT0608DTXSID60970033UEOYFCIGZWQXTP-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Melting point
- 270 · 270-275°C
- Boiling point
- 543.6 · 543.6±60.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT.
- solubility
- 2 Cl2, · sol THF, CH2Cl2, dioxane.
- Sensitive
- Moisture Sensitive
- BRN
- 1396884 · 1396884
- CAS DataBase Reference
- 54714 · 54714-11-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
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]
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThieno3,4-d-1,3-dioxol-2-one, 4,6-diphenyl-, 5,5-dioxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesUsed as acylating agent in peptide synthesis; synthesis of substituted ureas and isocyanates; acylating agent in Friedel-Crafts reaction.
Upstream & downstream products
Downstream products
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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