Basic information
- CAS
850567-90-7- Standard SMILES
OB(O)C1=CCC2(CC1)OCCO2- InChIKey
WDXCZWJQOFPQOS-UHFFFAOYSA-N- Molecular formula
- C8H13BO4
- Average molar mass
- 184 g/mol
- Monoisotopic mass
- 184.0906893
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro[4.5]dec-7-en-8-ylboronic acid
- IUPAC
- 1,4-dioxaspiro[4.5]dec-7-en-8-ylboronic acid
- English name
- 1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACID
- Molecular formula
- C8H13BO4
- Molecular weight
- 184
Names & synonyms
850567-90-71,4-dioxaspiro[4.5]dec-7-en-8-ylboronic acid4-Borono-3-cyclohexen-1-one, ethylene glycol ketal1,4-DIOXA-SPIRO[4,5]DEC-7-EN-8-BORONIC ACIDMFCD066598551,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid(1,4-dioxaspiro[4.5]dec-7-en-8-yl)boronic acid1,4-Dioxaspiro[4.5]dec-7-ene-8-boronic Acid{1,4-dioxaspiro[4.5]dec-7-en-8-yl}boronic acidC8H13BO44-Borono-3-cyclohexen-1-one ethylene glycol ketalSCHEMBL617047
Show more names
RMA-41301,4-Dioxaspiro[4,5]dec-7-en-8-boronicacid96%1,4-dioxaspiro[4.5]dec-8-en-8-ylboronic acid1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid 96%Boronic acid, B-1,4-dioxaspiro[4.5]dec-7-en-8-yl-{3-[dihydroxy(2-hydroxyethoxy)Methyl]-4-oxocyclohex-1-en-1-yl}boronic acid
DTXSID90656974WDXCZWJQOFPQOS-UHFFFAOYSA-NAKOS006220669AB26481AT30927BS-23209SY265443CS-0174707
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 154 · 154-158
- Boiling point
- 365.4 · 365.4±52.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 9.18 · 9.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海思阔化学科技有限公司021-33758897 · [email protected]
Related reactions
15 records
Compound notes
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