Basic information
- CAS
14362-48-2- Standard SMILES
O=C(O)CCC[Se][Se]CCCC(=O)O- InChIKey
WORSJCPMKUOXAD-UHFFFAOYSA-N- Molecular formula
- C8H14O4Se2
- Average molar mass
- 332.1 g/mol
- Monoisotopic mass
- 333.92225
Names & identifiers
- Preferred name
- 4-(3-Carboxypropyldiselanyl)butanoic acid
- IUPAC
- 4-(3-carboxypropyldiselanyl)butanoic acid
- English name
- 4,4'-Diselenodibutyric acid
- Molecular formula
- C8H14O4Se2
- Molecular weight
- 332.11
Names & synonyms
4-(3-carboxypropyldiselanyl)butanoic acidRefChem:513122630-821-5Butanoic acid, 4,4'-diselenobis-14362-48-2Diselenodibutyric acidButyric acid, 4,4'-diselenodi-4,4/'-Diselenodibutyric acid4,4'-Diselenodibutyric acidSCHEMBL11682647DTXSID30879241WORSJCPMKUOXAD-UHFFFAOYSA-N
Show more names
4,4'-diselanediyldibutanoic acid
4,4'-(Diselane-1,2-diyl)dibutanoic acid
Database identifiers
- CAS
14362-48-2- PubChem CID
- 560004
- DTXSID
DTXSID30879241- EC Number
- 630-821-5
- Nikkaji
- J122.233C
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 87.5 · 87.5-88 °C(Solv: benzene (71-43-2))
- Boiling point
- 523 · 523.0±60.0 °C(Predicted)
- pka
- 4.32 · 4.32±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers1 total
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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