Basic information
- Standard SMILES
O=C(O)CC(O)(C(=O)O)C(F)C(=O)O.[Ba]- InChIKey
JZXYXUPAJRFPBS-UHFFFAOYSA-N- Molecular formula
- C6H7BaFO7
- Average molar mass
- 347.44 g/mol
- Monoisotopic mass
- 347.92282798
Names & identifiers
- Preferred name
- dl-fluorocitric acid barium salt
- IUPAC
- 3-C-Carboxy-2,4-dideoxy-2-fluoropentaric acid--barium (1/1)
- English name
- DL-FLUOROCITRIC ACID BARIUM SALT
- Molecular formula
- C6H5BaFO7
- Molecular weight
- 345.43
Names & synonyms
DL-Fluorocitric acid barium saltRefChem:589944634-489-2100929-81-5DTXSID305851583-C-Carboxy-2,4-dideoxy-2-fluoropentaric acid--barium (1/1)dl-fluorocitric acidbarium DL-fluorocitrateDL-FLUOROCITRIC ACID, BARIUMbarium,1-fluoro-2-hydroxypropane-1,2,3-tricarboxylicaciPentaric acid,3-C-carboxy-2,4-dideoxy-2-fluoro-, barium salt (2:3)Pentaric acid,3-C-carboxy-2,4-dideoxy-2-fluoro-, barium salt (2:3) (9CI)
Database identifiers
- CAS
100929-81-5- PubChem CID
- 16219377
- DTXSID
DTXSID30585158- EC Number
- 634-489-2
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H314
- Precautionary statements
- 260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28-34
- Safety Statements
- 36 · 36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 1
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 26/27/28-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T+
- safety_code
- 36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H300+H310+H330-H314
- Precautionary statements
- P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesDL-Fluorocitric acid barium salt has been used as an astrocyte inhibitor in various experiments.
Suppliers8 total
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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