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Basic information
- CAS
632-56-4- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC- InChIKey
UQSBVZIXVVORQC-UHFFFAOYSA-N- Molecular formula
- C14H22O8
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.13146766
Names & identifiers
- Preferred name
- 1,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylate
- IUPAC
- tetraethyl ethane-1,1,2,2-tetracarboxylate
- English name
- Tetraethyl 1,1,2,2-ethanetetracarboxylate
- Molecular formula
- C14H22O8
- Molecular weight
- 318.32
Names & synonyms
632-56-4Tetraethyl ethane-1,1,2,2-tetracarboxylate1,1,2,2-Ethanetetracarboxylic acid, tetraethyl ester1,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylateDTXSID90212554RefChem:1051687DTXCID20135045211-180-7Tetraethyl 1,1,2,2-ethanetetracarboxylate1,1,2,2-TetracarbethoxyethaneTetrakis(ethoxycarbonyl)ethaneTetraethyl1,1,2,2-ethanetetracarboxylate
Show more names
ETHYL ETHANETETRACARBOXYLATE1,1,2,2-ethanetetraethyl formateetraethylethane-1,1,2,2-tetracarboxylateTetraethyl 1,1,2,2-ethanetetracarboxylate,97%Tetraethyl-1,1,2,2-ethanetetracarboxylate 97%ethane-1,1,2,2-tetracarboxylicacidtetraethylester
NSC2203EINECS 211-180-7MFCD00009153NSC693435UNII-5G8A5ZPV2T5G8A5ZPV2TAI3-11223SCHEMBL2460611
Database identifiers
- CAS
632-56-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 73 · 73-75 °C (lit.)
- Boiling point
- 377.49 °C · 377.49°C (rough estimate)
- Density
- 1.064 · 1.0640
- refractive index
- 1.4105 · 1.4105 (estimate)
- pka
- 10.58 · 10.58±0.59(Predicted)
- BRN
- 1805842 · 1805842
- InChI
- 1S/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3
- InChIKey
- UQSBVZIXVVORQC-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC
- FDA UNII
- 5 G8A5ZPV2T · 5G8A5ZPV2T
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesTetraethyl 1,1,2,2-ethanetetracarboxylate was used in the synthesis of double-ring molecules. It was also used in the preparation of tapt and tapt·4HCl·EtOH·0.5H2O.
Suppliers26 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京合巨药业有限公司
Related reactions
2 records
Compound notes
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