Basic information
- CAS
711-02-4- Standard SMILES
O=C(O)C12CCC(C(=O)O)(CC1)CC2- InChIKey
KVOACUMJSXEJQT-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
- IUPAC
- bicyclo[2.2.2]octane-1,4-dicarboxylic acid
- English name
- Bicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-4DTXSID50345872Bicyclo(2.2.2)octane-1,4-dicarboxylic acidRefChem:329272DTXCID40296945813-446-3KVOACUMJSXEJQT-UHFFFAOYSA-NBicyclo[2.2.2]octane-1,4-dicarboxylicacidMFCD00498000Bicyclo[2.2.2] octane-1,4 dicarboxylic acidEnamine_001187
Show more names
Bicyclo[2.2.2]octane-1,4-dicarboxylicaciBicyclo[2.2.2]octane-1,4-dicarboxylic acid - [B13846]
Oprea1_643008SCHEMBL893183orb3175941HMS1397F21AR30081,4-Dicarboxybicyclo[2.2.2]octaneAKOS000319850CS-W001268
Database identifiers
- CAS
711-02-4- PubChem CID
- 607709
- DTXSID
DTXSID50345872- EC Number
- 813-446-3
- Nikkaji
- J99.571A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 393 · 393-395℃
- Boiling point
- 393 ℃ · 393℃
- Density
- 1.447 · 1.447
- Flash point
- 206 ℃ · 206℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.49 · 4.49±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)
- InChIKey
- KVOACUMJSXEJQT-UHFFFAOYSA-N
- SMILES
- C12(C(O)=O)CCC(C(O)=O)(CC1)CC2
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H315-H319-H335
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917200090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Hazard statements
- H225-H301-H315-H319-H335
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesBicyclo[2.2.2]Octane-1,4-Dicarboxylic Acid is used as a ligand in the synthesis of MOF materials.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Related reactions
2 records
Compound notes
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